2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide

C18H16FN3O3S3 — CID 16944556

IUPAC2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C18H16FN3O3S3/c1-11-16(17(23)21-14-5-3-4-6-15(14)26-2)27-18(20-11)22-28(24,25)13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyVJDBCNHXACGLFD-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.37
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16944556) has the molecular formula C18H16FN3O3S3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID16944556
Molecular FormulaC18H16FN3O3S3
Molecular Weight437.54 g/mol
Exact Mass437.03
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C18H16FN3O3S3/c1-11-16(17(23)21-14-5-3-4-6-15(14)26-2)27-18(20-11)22-28(24,25)13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyVJDBCNHXACGLFD-UHFFFAOYSA-N
XLogP4.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16897630
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (CID 16944556) is 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is CSc1ccccc1NC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VJDBCNHXACGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S3/c1-11-16(17(23)21-14-5-3-4-6-15(14)26-2)27-18(20-11)22-28(24,25)13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).