3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

C12H19N3OS — CID 107068174

IUPAC3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-9-3-2-5-14-11(9)12(16)15-6-4-10-13-7-8-17-10/h7-9,11,14H,2-6H2,1H3,(H,15,16)
InChIKeyKMPLVUPWIUHKML-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.19
Rot. Bonds4

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

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 107068174) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID107068174
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-9-3-2-5-14-11(9)12(16)15-6-4-10-13-7-8-17-10/h7-9,11,14H,2-6H2,1H3,(H,15,16)
InChIKeyKMPLVUPWIUHKML-UHFFFAOYSA-N
XLogP1.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 107069255
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 107068180
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
sodium cis-(1R,4S)-2,3-dimethyl-4-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylate
CID 167888255
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 107068174) is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is CC1CCCNC1C(=O)NCCc1nccs1.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is KMPLVUPWIUHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-3-2-5-14-11(9)12(16)15-6-4-10-13-7-8-17-10/h7-9,11,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 107068174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).