2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C17H19N5O3S — CID 47057312

IUPAC2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cs1
InChIInChI=1S/C17H19N5O3S/c1-11(23)19-17-21-14(10-26-17)15(24)20-13-4-8-22(9-5-13)16(25)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyUGTDJKKKWZDNHF-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.53
Rot. Bonds4

About 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 47057312) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID47057312
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cs1
InChIInChI=1S/C17H19N5O3S/c1-11(23)19-17-21-14(10-26-17)15(24)20-13-4-8-22(9-5-13)16(25)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyUGTDJKKKWZDNHF-UHFFFAOYSA-N
XLogP1.53
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-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

Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099
2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 47057312) is 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cs1.
What is the InChIKey of 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UGTDJKKKWZDNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11(23)19-17-21-14(10-26-17)15(24)20-13-4-8-22(9-5-13)16(25)12-2-6-18-7-3-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47057312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).