N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide

C10H11N5OS — CID 91814777

IUPACN-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(n2ccnn2)C1
InChIInChI=1S/C10H11N5OS/c16-10(12-9-2-1-5-17-9)14-6-8(7-14)15-4-3-11-13-15/h1-5,8H,6-7H2,(H,12,16)
InChIKeyDFPNRVRPPPPBIP-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.43
Rot. Bonds2

About N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide

N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 91814777) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID91814777
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(n2ccnn2)C1
InChIInChI=1S/C10H11N5OS/c16-10(12-9-2-1-5-17-9)14-6-8(7-14)15-4-3-11-13-15/h1-5,8H,6-7H2,(H,12,16)
InChIKeyDFPNRVRPPPPBIP-UHFFFAOYSA-N
XLogP1.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-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-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide (CID 91814777) is N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(n2ccnn2)C1.
What is the InChIKey of N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is DFPNRVRPPPPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c16-10(12-9-2-1-5-17-9)14-6-8(7-14)15-4-3-11-13-15/h1-5,8H,6-7H2,(H,12,16).
What are the key properties of N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 91814777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).