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

C13H21N3OS — CID 107068241

IUPAC3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1csc(C(C)NC(=O)C2NCCCC2C)n1
InChIInChI=1S/C13H21N3OS/c1-8-5-4-6-14-11(8)12(17)16-10(3)13-15-9(2)7-18-13/h7-8,10-11,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyALMUKMKUXDQUTI-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.02
Rot. Bonds3

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

3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 107068241) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID107068241
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCc1csc(C(C)NC(=O)C2NCCCC2C)n1
InChIInChI=1S/C13H21N3OS/c1-8-5-4-6-14-11(8)12(17)16-10(3)13-15-9(2)7-18-13/h7-8,10-11,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyALMUKMKUXDQUTI-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540321
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78923912
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80591552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 107068241) is 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is Cc1csc(C(C)NC(=O)C2NCCCC2C)n1.
What is the InChIKey of 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is ALMUKMKUXDQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-5-4-6-14-11(8)12(17)16-10(3)13-15-9(2)7-18-13/h7-8,10-11,14H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 107068241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).