2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide

C17H12ClFN2O3S2 — CID 112795184

IUPAC2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-13(19)14(8-12)20-16(22)15-9-25-17(21-15)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22)
InChIKeyFFLMIELSCQLWHO-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.26
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 112795184) has the molecular formula C17H12ClFN2O3S2 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID112795184
Molecular FormulaC17H12ClFN2O3S2
Molecular Weight410.88 g/mol
Exact Mass410.00
IUPAC Name2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-13(19)14(8-12)20-16(22)15-9-25-17(21-15)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22)
InChIKeyFFLMIELSCQLWHO-UHFFFAOYSA-N
XLogP4.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 78810356
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610
2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 112773660
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
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-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 56515004
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide (CID 112795184) is 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FFLMIELSCQLWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3S2/c1-26(23,24)12-5-6-13(19)14(8-12)20-16(22)15-9-25-17(21-15)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22).
What are the key properties of 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112795184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).