2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide
TL;DR: 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide (CAS 445391-35-5) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
Also Known As: ChemDiv2_004861, CBKinase1_008382, CBKinase1_020782, IDI1_003576, AM-807/41063047
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 1.87192 |
| Topological Polar Surface Area | 106.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 604.00244 |
Chemical Identifiers
| CAS Number | 445391-35-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=C(N=C(S2)NCC=C)N |
Product Overview
2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide (CAS 445391-35-5), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide
Property Insights of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide
The XLogP value of 1.87192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide. The TPSA of 106.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide. Following Lipinski's Rule of Five, 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide has 3 hydrogen bond donor(s) and 7 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 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide?
The CAS number of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide is 445391-35-5.
What is the molecular formula of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide?
The molecular formula of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide is C11H13N5O2S.
What is the molecular weight of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide?
The molecular weight of 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide is 279.08 g/mol.
Where can I buy 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide?
You can request a quote for 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylamino)-4-amino-N-(5-methylisoxazol-3-yl)thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.