N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine

C15H26N2OS — CID 116774721

IUPACN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OCC)CCCC(C)C2)n1
InChIInChI=1S/C15H26N2OS/c1-4-16-10-13-11-19-14(17-13)15(18-5-2)8-6-7-12(3)9-15/h11-12,16H,4-10H2,1-3H3
InChIKeySLMLDMBMGODFCH-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116774721) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116774721
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OCC)CCCC(C)C2)n1
InChIInChI=1S/C15H26N2OS/c1-4-16-10-13-11-19-14(17-13)15(18-5-2)8-6-7-12(3)9-15/h11-12,16H,4-10H2,1-3H3
InChIKeySLMLDMBMGODFCH-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine 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-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 116774601
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774708
2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-amine
CID 116782578
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 116774721) is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2(OCC)CCCC(C)C2)n1.
What is the InChIKey of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is SLMLDMBMGODFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-16-10-13-11-19-14(17-13)15(18-5-2)8-6-7-12(3)9-15/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116774721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).