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

C14H12N4OS — CID 1246306

IUPAC5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10-13(11-5-3-2-4-6-11)12(7-20-10)14(19)17-18-8-15-16-9-18/h2-9H,1H3,(H,17,19)
InChIKeyFVNXHIWCRLAEGR-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds3

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

5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide (PubChem CID 1246306) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
PubChem CID1246306
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10-13(11-5-3-2-4-6-11)12(7-20-10)14(19)17-18-8-15-16-9-18/h2-9H,1H3,(H,17,19)
InChIKeyFVNXHIWCRLAEGR-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-(phenylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660768
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245136
N-4H-1,2,4-triazol-4-yl-1-benzothiophene-3-carboxamide
CID 1246153
N-(4H-1,2,4-Triazol-4-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247433
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6001580
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6902473
4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzohydrazide
CID 2360211
4-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-thiophenecarboxamide
CID 1246094
5-methyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1244080
N-4H-1,2,4-triazol-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970229
5-(4-fluorophenyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 24619982
2-fluoro-4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 37768024

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide (CID 1246306) is 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide is Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
The InChIKey is FVNXHIWCRLAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10-13(11-5-3-2-4-6-11)12(7-20-10)14(19)17-18-8-15-16-9-18/h2-9H,1H3,(H,17,19).
What are the key properties of 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide?
5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 1246306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).