5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide

C20H15FN4OS — CID 52668662

IUPAC5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)s3)c2)n[nH]1
InChIInChI=1S/C20H15FN4OS/c1-12-22-19(25-24-12)13-5-4-6-14(11-13)23-20(26)18-10-9-17(27-18)15-7-2-3-8-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25)
InChIKeyCATMPLWJPCQAPJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.90
Rot. Bonds4

About 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide

5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 52668662) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID52668662
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)s3)c2)n[nH]1
InChIInChI=1S/C20H15FN4OS/c1-12-22-19(25-24-12)13-5-4-6-14(11-13)23-20(26)18-10-9-17(27-18)15-7-2-3-8-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25)
InChIKeyCATMPLWJPCQAPJ-UHFFFAOYSA-N
XLogP4.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
N-(3-ethylsulfonylphenyl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 86971410
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide (CID 52668662) is 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4F)s3)c2)n[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is CATMPLWJPCQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-12-22-19(25-24-12)13-5-4-6-14(11-13)23-20(26)18-10-9-17(27-18)15-7-2-3-8-16(15)21/h2-11H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 52668662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).