2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide

C20H19N3OS2 — CID 55875231

IUPAC2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C20H19N3OS2/c24-18(17-6-3-11-21-20(17)26-16-4-1-2-5-16)23-15-9-7-14(8-10-15)19-22-12-13-25-19/h3,6-13,16H,1-2,4-5H2,(H,23,24)
InChIKeyVRCRMUDVTBBJPZ-UHFFFAOYSA-N
MW381.53 g/mol
LogP5.49
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55875231) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID55875231
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C20H19N3OS2/c24-18(17-6-3-11-21-20(17)26-16-4-1-2-5-16)23-15-9-7-14(8-10-15)19-22-12-13-25-19/h3,6-13,16H,1-2,4-5H2,(H,23,24)
InChIKeyVRCRMUDVTBBJPZ-UHFFFAOYSA-N
XLogP5.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 55871239
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 75416019
2-(cyanomethylsulfanyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 9323232
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 55875231) is 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is VRCRMUDVTBBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c24-18(17-6-3-11-21-20(17)26-16-4-1-2-5-16)23-15-9-7-14(8-10-15)19-22-12-13-25-19/h3,6-13,16H,1-2,4-5H2,(H,23,24).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 381.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55875231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).