2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 53015922

IUPAC2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-13-11(16)10-9-17-12(14-10)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyMQUKNEPFMUDTEQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.27
Rot. Bonds3

About 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide

2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 53015922) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID53015922
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-13-11(16)10-9-17-12(14-10)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyMQUKNEPFMUDTEQ-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-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 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 53015922) is 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is MQUKNEPFMUDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-13-11(16)10-9-17-12(14-10)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).