2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide

C17H14FN3OS2 — CID 169152175

IUPAC2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCSNc1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H14FN3OS2/c1-23-21-14-4-2-3-13(9-14)19-16(22)15-10-24-17(20-15)11-5-7-12(18)8-6-11/h2-10,21H,1H3,(H,19,22)
InChIKeyLFVNQYLVJCIVIH-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 169152175) has the molecular formula C17H14FN3OS2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID169152175
Molecular FormulaC17H14FN3OS2
Molecular Weight359.45 g/mol
Exact Mass359.06
IUPAC Name2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCSNc1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H14FN3OS2/c1-23-21-14-4-2-3-13(9-14)19-16(22)15-10-24-17(20-15)11-5-7-12(18)8-6-11/h2-10,21H,1H3,(H,19,22)
InChIKeyLFVNQYLVJCIVIH-UHFFFAOYSA-N
XLogP4.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 86983157
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide (CID 169152175) is 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide is CSNc1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LFVNQYLVJCIVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS2/c1-23-21-14-4-2-3-13(9-14)19-16(22)15-10-24-17(20-15)11-5-7-12(18)8-6-11/h2-10,21H,1H3,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 169152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).