[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone

C12H18N2OS — CID 116585162

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C12H18N2OS/c1-8-3-2-4-9(5-8)12(15)10-7-16-11(6-13)14-10/h7-9H,2-6,13H2,1H3
InChIKeyQLYLDDKPEPCWDX-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.61
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone (PubChem CID 116585162) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
PubChem CID116585162
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C12H18N2OS/c1-8-3-2-4-9(5-8)12(15)10-7-16-11(6-13)14-10/h7-9H,2-6,13H2,1H3
InChIKeyQLYLDDKPEPCWDX-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130815632
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
(3-methylcyclohexyl) 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66372916
(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380921
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593147
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone (CID 116585162) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone?
The InChIKey is QLYLDDKPEPCWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-3-2-4-9(5-8)12(15)10-7-16-11(6-13)14-10/h7-9H,2-6,13H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone has a molecular weight of 238.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 116585162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).