![4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile structure](/static/products/851/851207-99-3.png)
4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
TL;DR: 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile (CAS 851207-99-3) is a chemical compound with molecular formula C15H18N4S2 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile
Also Known As: 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile, 4-imino-2-mercapto-5-(4-methyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile, 2-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile, 8-amino-7-(4-methyl-1,3-thiazol-2-yl)-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-diene-11-carbonitrile
| Molecular Formula | C15H18N4S2 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 3.5214 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.0973 |
| Heavy Atoms | 21 |
| Complexity | 659.4587 |
Chemical Identifiers
| CAS Number | 851207-99-3 |
|---|---|
| SMILES | CC1=CSC(=N1)C2C(=NC(=C(C23CCCCC3)C#N)S)N |
Product Overview
4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile (CAS 851207-99-3), with molecular formula C15H18N4S2 and molecular weight 318.10 g/mol. IUPAC: 2-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile.
Chemical Property Profile of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
Property Insights of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
The XLogP value of 3.5214 indicates that 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile. Following Lipinski's Rule of Five, 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile?
The CAS number of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile is 851207-99-3.
What is the molecular formula of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile?
The molecular formula of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile is C15H18N4S2.
What is the molecular weight of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile?
The molecular weight of 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile is 318.10 g/mol.
Where can I buy 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile?
You can request a quote for 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-5-(4-methyl-1,3-thiazol-2-yl)-2-sulfanyl-3-azaspiro[5.5]undec-1-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.