N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C16H12ClN3OS — CID 1483715

IUPACN-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c1-10-14(15(21)20-13-6-4-12(17)5-7-13)22-16(19-10)11-3-2-8-18-9-11/h2-9H,1H3,(H,20,21)
InChIKeyWFSSXWCQSGFJKB-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.42
Rot. Bonds3

About N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1483715) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1483715
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c1-10-14(15(21)20-13-6-4-12(17)5-7-13)22-16(19-10)11-3-2-8-18-9-11/h2-9H,1H3,(H,20,21)
InChIKeyWFSSXWCQSGFJKB-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1483715) is N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WFSSXWCQSGFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-10-14(15(21)20-13-6-4-12(17)5-7-13)22-16(19-10)11-3-2-8-18-9-11/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).