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

C13H11N5OS — CID 61102206

IUPAC3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C13H11N5OS/c14-11-5-6-20-12(11)13(19)17-9-1-3-10(4-2-9)18-8-15-7-16-18/h1-8H,14H2,(H,17,19)
InChIKeyMFPWKGPJRMVFFS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.16
Rot. Bonds3

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

3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 61102206) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID61102206
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C13H11N5OS/c14-11-5-6-20-12(11)13(19)17-9-1-3-10(4-2-9)18-8-15-7-16-18/h1-8H,14H2,(H,17,19)
InChIKeyMFPWKGPJRMVFFS-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

Analyze 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 27702237
4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 63103393
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
2-(aminomethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376479
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (CID 61102206) is 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is MFPWKGPJRMVFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-11-5-6-20-12(11)13(19)17-9-1-3-10(4-2-9)18-8-15-7-16-18/h1-8H,14H2,(H,17,19).
What are the key properties of 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]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 3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61102206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).