N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine

C20H28N2O2S — CID 112796571

IUPACN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCOc1cccc(-c2nc(CNC3CCCC(C)C3C)cs2)c1OC
InChIInChI=1S/C20H28N2O2S/c1-13-7-5-9-17(14(13)2)21-11-15-12-25-20(22-15)16-8-6-10-18(23-3)19(16)24-4/h6,8,10,12-14,17,21H,5,7,9,11H2,1-4H3
InChIKeyJLPPHASKDJUXBU-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.74
Rot. Bonds6

About N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 112796571) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID112796571
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCOc1cccc(-c2nc(CNC3CCCC(C)C3C)cs2)c1OC
InChIInChI=1S/C20H28N2O2S/c1-13-7-5-9-17(14(13)2)21-11-15-12-25-20(22-15)16-8-6-10-18(23-3)19(16)24-4/h6,8,10,12-14,17,21H,5,7,9,11H2,1-4H3
InChIKeyJLPPHASKDJUXBU-UHFFFAOYSA-N
XLogP4.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 115586406
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228
N-[(8-methoxyquinolin-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 80701799
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine (CID 112796571) is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine is COc1cccc(-c2nc(CNC3CCCC(C)C3C)cs2)c1OC.
What is the InChIKey of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is JLPPHASKDJUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-13-7-5-9-17(14(13)2)21-11-15-12-25-20(22-15)16-8-6-10-18(23-3)19(16)24-4/h6,8,10,12-14,17,21H,5,7,9,11H2,1-4H3.
What are the key properties of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine?
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 360.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 112796571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).