N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H17N3O2S — CID 47035706

IUPACN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyGGVAQDKSHWMLDI-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.19
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47035706) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47035706
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyGGVAQDKSHWMLDI-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-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-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47035706) is N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)N1CCC(NC(=O)c2scnc2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GGVAQDKSHWMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-11(18-7-13-8)12(17)14-10-3-5-15(6-4-10)9(2)16/h7,10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).