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

C12H19N3OS — CID 53015915

IUPACN-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3OS/c1-3-13-11(16)10-8-17-12(14-10)15-6-4-5-9(2)7-15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyBRGMOOMQQPYLDF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.13
Rot. Bonds3

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

N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53015915) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID53015915
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(N2CCCC(C)C2)n1
InChIInChI=1S/C12H19N3OS/c1-3-13-11(16)10-8-17-12(14-10)15-6-4-5-9(2)7-15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyBRGMOOMQQPYLDF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(3-methylpiperidin-1-yl)-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 N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 53015915) is N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(N2CCCC(C)C2)n1.
What is the InChIKey of N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BRGMOOMQQPYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-13-11(16)10-8-17-12(14-10)15-6-4-5-9(2)7-15/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).