2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide

C14H15FN2O3S2 — CID 95331044

IUPAC2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](CS(C)(=O)=O)NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C14H15FN2O3S2/c1-9(8-22(2,19)20)17-13(18)12-7-16-14(21-12)10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyUIJOXDUYFOEGJY-VIFPVBQESA-N
MW342.42 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 95331044) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID95331044
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](CS(C)(=O)=O)NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C14H15FN2O3S2/c1-9(8-22(2,19)20)17-13(18)12-7-16-14(21-12)10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyUIJOXDUYFOEGJY-VIFPVBQESA-N
XLogP2.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
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2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
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3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
N-[(3-aminospiro[3.3]heptan-1-yl)methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 166313968
N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 154839293
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
CID 133061134
2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
CID 111661369
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 95331044) is 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide is C[C@@H](CS(C)(=O)=O)NC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is UIJOXDUYFOEGJY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-9(8-22(2,19)20)17-13(18)12-7-16-14(21-12)10-5-3-4-6-11(10)15/h3-7,9H,8H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95331044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).