(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

C14H21N3O2S — CID 94192420

IUPAC(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13(19)17-7-5-4-6-11(17)12(18)16-14-15-8-10(3)20-14/h8-9,11H,4-7H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyGGMYXANTYAIPRI-NSHDSACASA-N
MW295.41 g/mol
LogP2.43
Rot. Bonds3

About (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 94192420) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID94192420
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13(19)17-7-5-4-6-11(17)12(18)16-14-15-8-10(3)20-14/h8-9,11H,4-7H2,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyGGMYXANTYAIPRI-NSHDSACASA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-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 (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 94192420) is (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is Cc1cnc(NC(=O)[C@@H]2CCCCN2C(=O)C(C)C)s1.
What is the InChIKey of (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is GGMYXANTYAIPRI-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)13(19)17-7-5-4-6-11(17)12(18)16-14-15-8-10(3)20-14/h8-9,11H,4-7H2,1-3H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 94192420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).