N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

C15H12FN3O3S3 — CID 25405244

IUPACN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1F
InChIInChI=1S/C15H12FN3O3S3/c1-9-4-5-10(7-11(9)16)17-14(20)12-8-24-15(18-12)19-25(21,22)13-3-2-6-23-13/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyMEAIXJNFOCSYGX-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.71
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide

N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 25405244) has the molecular formula C15H12FN3O3S3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
PubChem CID25405244
Molecular FormulaC15H12FN3O3S3
Molecular Weight397.48 g/mol
Exact Mass397.00
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1F
InChIInChI=1S/C15H12FN3O3S3/c1-9-4-5-10(7-11(9)16)17-14(20)12-8-24-15(18-12)19-25(21,22)13-3-2-6-23-13/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyMEAIXJNFOCSYGX-UHFFFAOYSA-N
XLogP3.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide (CID 25405244) is N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(NS(=O)(=O)c3cccs3)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is MEAIXJNFOCSYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S3/c1-9-4-5-10(7-11(9)16)17-14(20)12-8-24-15(18-12)19-25(21,22)13-3-2-6-23-13/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).