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

C18H12ClN3OS — CID 9192536

IUPAC2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H12ClN3OS/c1-11-16(17(23)22-15-7-2-4-12(8-15)10-20)24-18(21-11)13-5-3-6-14(19)9-13/h2-9H,1H3,(H,22,23)
InChIKeyZFTHCPNAUUFPID-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.90
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 9192536) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID9192536
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H12ClN3OS/c1-11-16(17(23)22-15-7-2-4-12(8-15)10-20)24-18(21-11)13-5-3-6-14(19)9-13/h2-9H,1H3,(H,22,23)
InChIKeyZFTHCPNAUUFPID-UHFFFAOYSA-N
XLogP4.90
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
2-(3-chlorophenyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55806862
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110387311
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 9192536) is 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZFTHCPNAUUFPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c1-11-16(17(23)22-15-7-2-4-12(8-15)10-20)24-18(21-11)13-5-3-6-14(19)9-13/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9192536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).