N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H12ClN3OS — CID 800782

IUPACN-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H12ClN3OS/c1-20-14-5-4-11(16)7-12(14)18-15-19-13(9-21-15)10-3-2-6-17-8-10/h2-9H,1H3,(H,18,19)
InChIKeyYAESPPVVRGBJJH-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.61
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 800782) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID800782
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H12ClN3OS/c1-20-14-5-4-11(16)7-12(14)18-15-19-13(9-21-15)10-3-2-6-17-8-10/h2-9H,1H3,(H,18,19)
InChIKeyYAESPPVVRGBJJH-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 800782) is N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is COc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is YAESPPVVRGBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-20-14-5-4-11(16)7-12(14)18-15-19-13(9-21-15)10-3-2-6-17-8-10/h2-9H,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 317.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 800782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).