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

C20H28N2O2S — CID 8558646

IUPACN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
SMILESCOc1ccc(-c2nc(CNC3CCCCCCC3)cs2)cc1OC
InChIInChI=1S/C20H28N2O2S/c1-23-18-11-10-15(12-19(18)24-2)20-22-17(14-25-20)13-21-16-8-6-4-3-5-7-9-16/h10-12,14,16,21H,3-9,13H2,1-2H3
InChIKeyLNSYNQZLMQYEJW-UHFFFAOYSA-N
MW360.52 g/mol
LogP5.03
Rot. Bonds6

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

N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine (PubChem CID 8558646) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
PubChem CID8558646
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
SMILESCOc1ccc(-c2nc(CNC3CCCCCCC3)cs2)cc1OC
InChIInChI=1S/C20H28N2O2S/c1-23-18-11-10-15(12-19(18)24-2)20-22-17(14-25-20)13-21-16-8-6-4-3-5-7-9-16/h10-12,14,16,21H,3-9,13H2,1-2H3
InChIKeyLNSYNQZLMQYEJW-UHFFFAOYSA-N
XLogP5.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 60542126
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 40789617
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 112797223
1-cyclohexyl-3-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]thiourea
CID 108780117

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine (CID 8558646) is N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine is COc1ccc(-c2nc(CNC3CCCCCCC3)cs2)cc1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine?
The InChIKey is LNSYNQZLMQYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-23-18-11-10-15(12-19(18)24-2)20-22-17(14-25-20)13-21-16-8-6-4-3-5-7-9-16/h10-12,14,16,21H,3-9,13H2,1-2H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine?
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine has a molecular weight of 360.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine is sourced from PubChem (CID 8558646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).