N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C15H21N5OS — CID 75423442

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)sc1C
InChIInChI=1S/C15H21N5OS/c1-10-11(2)22-13(19-10)8-18-15(21)20-7-3-4-12(9-20)14-16-5-6-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyLUZRMPNSMGNIPL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.57
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 75423442) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID75423442
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)sc1C
InChIInChI=1S/C15H21N5OS/c1-10-11(2)22-13(19-10)8-18-15(21)20-7-3-4-12(9-20)14-16-5-6-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyLUZRMPNSMGNIPL-UHFFFAOYSA-N
XLogP2.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 75423442) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCCC(c3ncc[nH]3)C2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is LUZRMPNSMGNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-11(2)22-13(19-10)8-18-15(21)20-7-3-4-12(9-20)14-16-5-6-17-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75423442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).