N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide

C12H10N4O2S — CID 56784354

IUPACN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1nc(-c2cccs2)n[nH]1)c1ccoc1
InChIInChI=1S/C12H10N4O2S/c17-12(8-3-4-18-7-8)13-6-10-14-11(16-15-10)9-2-1-5-19-9/h1-5,7H,6H2,(H,13,17)(H,14,15,16)
InChIKeyZEHXLNZWKCXOJP-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.06
Rot. Bonds4

About N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide (PubChem CID 56784354) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide
PubChem CID56784354
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1nc(-c2cccs2)n[nH]1)c1ccoc1
InChIInChI=1S/C12H10N4O2S/c17-12(8-3-4-18-7-8)13-6-10-14-11(16-15-10)9-2-1-5-19-9/h1-5,7H,6H2,(H,13,17)(H,14,15,16)
InChIKeyZEHXLNZWKCXOJP-UHFFFAOYSA-N
XLogP2.06
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide (CID 56784354) is N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide is O=C(NCc1nc(-c2cccs2)n[nH]1)c1ccoc1.
What is the InChIKey of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide?
The InChIKey is ZEHXLNZWKCXOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-12(8-3-4-18-7-8)13-6-10-14-11(16-15-10)9-2-1-5-19-9/h1-5,7H,6H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide?
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56784354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).