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

C11H17N3OS — CID 61285801

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCCN2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-14-9(7-16-8)6-13-11(15)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,15)
InChIKeyAGFXSYKPGADWOZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.21
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 61285801) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID61285801
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCCN2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-14-9(7-16-8)6-13-11(15)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,15)
InChIKeyAGFXSYKPGADWOZ-UHFFFAOYSA-N
XLogP1.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119900133
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 119338414
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891845
(2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891816
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (CID 61285801) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is Cc1nc(CNC(=O)C2CCCCN2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is AGFXSYKPGADWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-14-9(7-16-8)6-13-11(15)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 61285801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).