N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

C17H14N2O3S2 — CID 55415574

IUPACN-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H14N2O3S2/c1-24(21,22)14-9-5-8-13(10-14)18-16(20)15-11-23-17(19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,20)
InChIKeyAYDUHFNQQIGXNM-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.47
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 55415574) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID55415574
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H14N2O3S2/c1-24(21,22)14-9-5-8-13(10-14)18-16(20)15-11-23-17(19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,20)
InChIKeyAYDUHFNQQIGXNM-UHFFFAOYSA-N
XLogP3.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-(3-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide;2-(3-methylsulfonylphenyl)-1,3-thiazole-4-carboxylic acid
CID 158962680
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 156859744
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 55415574) is N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is AYDUHFNQQIGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-24(21,22)14-9-5-8-13(10-14)18-16(20)15-11-23-17(19-15)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,20).
What are the key properties of N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55415574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).