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

C13H11N5OS — CID 665780

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESNc1nc(NC(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C13H11N5OS/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19)
InChIKeyZMKAVYADZYBOFM-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.16
Rot. Bonds3

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

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 665780) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID665780
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESNc1nc(NC(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C13H11N5OS/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19)
InChIKeyZMKAVYADZYBOFM-UHFFFAOYSA-N
XLogP2.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methylthienyl-carbonyl-JNJ-7706621
CID 5330804
4-[[5-Amino-1-(2-thienylcarbonyl)-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330803
4-[[5-Amino-1-[(3-fluoro-2-thienyl)carbonyl]-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330806
2-[(1-Phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 877545
N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 7709957
1-Phenyl-N*3*-thiophen-2-ylmethyl-1H-[1,2,4]triazole-3,5-diamine
CID 651954
1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-4-(thiophene-2-carbonyl)piperazine
CID 2243324
N-[4-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 4787072
4-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one
CID 7563013
2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7801904
N-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]thiophene-2-carboxamide
CID 8285553
2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanyl-1-(5-methylthiophen-2-yl)ethanone
CID 8702216

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 665780) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is ZMKAVYADZYBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-12-16-13(15-11(19)10-7-4-8-20-10)17-18(12)9-5-2-1-3-6-9/h1-8H,(H3,14,15,16,17,19).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 665780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).