5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile
TL;DR: 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile (CAS 145662-45-9) is a chemical compound with molecular formula C15H16N4S and molecular weight 284.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-3-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
Also Known As: NCI60_024980, 1H-INDOLE,2-BROMO-3-IODO-1-(PHENYLSULFONYL)-, 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile, 5-(benzylamino)-3-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile, 5-(benzylamino)-3-pyrrolidin-1-yl-isothiazole-4-carbonitrile
| Molecular Formula | C15H16N4S |
|---|---|
| Molecular Weight | 284.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.10956 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 145662-45-9 |
|---|---|
| SMILES | C1CCN(C1)C2=NSC(=C2C#N)NCC3=CC=CC=C3 |
| InChIKey | VHEWDTRKTBBPOH-UHFFFAOYSA-N |
Product Overview
5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile (CAS 145662-45-9), with molecular formula C15H16N4S and molecular weight 284.11 g/mol. IUPAC: 5-(benzylamino)-3-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile
Property Insights of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile
The XLogP value of 4.0 indicates that 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile has 1 hydrogen bond donor(s) and 5 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 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile?
The CAS number of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile is 145662-45-9.
What is the molecular formula of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile?
The molecular formula of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile is C15H16N4S.
What is the molecular weight of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile?
The molecular weight of 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile is 284.11 g/mol.
Where can I buy 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile?
You can request a quote for 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.