1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

C18H22N4O2S — CID 72898030

IUPAC1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCc2csc(-c3ccncc3)n2)C1
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-10-2-3-15(11-22)17(24)20-9-6-16-12-25-18(21-16)14-4-7-19-8-5-14/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3,(H,20,24)
InChIKeyPWIAIUVSOKOUQN-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.12
Rot. Bonds5

About 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72898030) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID72898030
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCc2csc(-c3ccncc3)n2)C1
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-10-2-3-15(11-22)17(24)20-9-6-16-12-25-18(21-16)14-4-7-19-8-5-14/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3,(H,20,24)
InChIKeyPWIAIUVSOKOUQN-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-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 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (CID 72898030) is 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCc2csc(-c3ccncc3)n2)C1.
What is the InChIKey of 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PWIAIUVSOKOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(23)22-10-2-3-15(11-22)17(24)20-9-6-16-12-25-18(21-16)14-4-7-19-8-5-14/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3,(H,20,24).
What are the key properties of 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72898030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).