2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride

C13H22ClN3OS — CID 22069132

IUPAC2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride
SMILESCc1nc(CNC(C(N)=O)C2CCCCC2)cs1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-9-16-11(8-18-9)7-15-12(13(14)17)10-5-3-2-4-6-10;/h8,10,12,15H,2-7H2,1H3,(H2,14,17);1H
InChIKeyWJUCTMLAXYXEHW-UHFFFAOYSA-N
MW303.86 g/mol
LogP2.40
Rot. Bonds5

About 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride

2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride (PubChem CID 22069132) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride
PubChem CID22069132
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC Name2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride
SMILESCc1nc(CNC(C(N)=O)C2CCCCC2)cs1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-9-16-11(8-18-9)7-15-12(13(14)17)10-5-3-2-4-6-10;/h8,10,12,15H,2-7H2,1H3,(H2,14,17);1H
InChIKeyWJUCTMLAXYXEHW-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
N-(2-amino-1-cyclohexylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119589919
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97348118
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride (CID 22069132) is 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride is Cc1nc(CNC(C(N)=O)C2CCCCC2)cs1.Cl.
What is the InChIKey of 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride?
The InChIKey is WJUCTMLAXYXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.ClH/c1-9-16-11(8-18-9)7-15-12(13(14)17)10-5-3-2-4-6-10;/h8,10,12,15H,2-7H2,1H3,(H2,14,17);1H.
What are the key properties of 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride?
2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide;hydrochloride is sourced from PubChem (CID 22069132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).