2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C22H17N3O2S — CID 17409593

IUPAC2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1
InChIInChI=1S/C22H17N3O2S/c1-27-18-11-5-9-16(13-18)22-25-19(15-7-3-2-4-8-15)20(28-22)21(26)24-17-10-6-12-23-14-17/h2-14H,1H3,(H,24,26)
InChIKeyOSXSVFBLJWFTSX-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.13
Rot. Bonds5

About 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 17409593) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID17409593
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1
InChIInChI=1S/C22H17N3O2S/c1-27-18-11-5-9-16(13-18)22-25-19(15-7-3-2-4-8-15)20(28-22)21(26)24-17-10-6-12-23-14-17/h2-14H,1H3,(H,24,26)
InChIKeyOSXSVFBLJWFTSX-UHFFFAOYSA-N
XLogP5.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 60529003
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 17409593) is 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is COc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OSXSVFBLJWFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-27-18-11-5-9-16(13-18)22-25-19(15-7-3-2-4-8-15)20(28-22)21(26)24-17-10-6-12-23-14-17/h2-14H,1H3,(H,24,26).
What are the key properties of 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17409593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).