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

C14H12N4OS — CID 2971392

IUPAC4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nn2cnnc2)sc1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10-7-12(14(19)17-18-8-15-16-9-18)20-13(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)
InChIKeyNRVQGKBQDXRTBD-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.70
Rot. Bonds3

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

4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (PubChem CID 2971392) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
PubChem CID2971392
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nn2cnnc2)sc1-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10-7-12(14(19)17-18-8-15-16-9-18)20-13(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)
InChIKeyNRVQGKBQDXRTBD-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

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
5-methyl-4-phenyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1246306
5-methyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1244080
N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 573754
3-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
CID 1245597
4-ethyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 2225294
N-4H-1,2,4-triazol-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970229
3-chloro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
CID 748114

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (CID 2971392) is 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is Cc1cc(C(=O)Nn2cnnc2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The InChIKey is NRVQGKBQDXRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10-7-12(14(19)17-18-8-15-16-9-18)20-13(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19).
What are the key properties of 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-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 4-methyl-5-phenyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2971392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).