(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

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Related Compounds

(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16195944
N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
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3,3-dimethyl-2-oxo-N-[(2S)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]butanamide
CID 44435497
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456032
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 59908745
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857

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).