4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide

C17H17FN4OS — CID 97050989

IUPAC4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H](C)Cn2cncn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN4OS/c1-11(8-22-10-19-9-20-22)21-17(23)16-7-15(12(2)24-16)13-3-5-14(18)6-4-13/h3-7,9-11H,8H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyWESOJSISOOGKDN-NSHDSACASA-N
MW344.42 g/mol
LogP3.27
Rot. Bonds5

About 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide

4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 97050989) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID97050989
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H](C)Cn2cncn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN4OS/c1-11(8-22-10-19-9-20-22)21-17(23)16-7-15(12(2)24-16)13-3-5-14(18)6-4-13/h3-7,9-11H,8H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyWESOJSISOOGKDN-NSHDSACASA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 119617905
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96524278
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96524279
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 169420324
2-[(4-fluorophenyl)methylsulfanyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 86834087
2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 56911423
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 97050989) is 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide is Cc1sc(C(=O)N[C@@H](C)Cn2cncn2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is WESOJSISOOGKDN-NSHDSACASA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11(8-22-10-19-9-20-22)21-17(23)16-7-15(12(2)24-16)13-3-5-14(18)6-4-13/h3-7,9-11H,8H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97050989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).