N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine

C15H26N2OS — CID 116774601

IUPACN-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(C2(OC)CCCC(C)C2)n1
InChIInChI=1S/C15H26N2OS/c1-5-16-12(3)13-10-19-14(17-13)15(18-4)8-6-7-11(2)9-15/h10-12,16H,5-9H2,1-4H3
InChIKeyNKYJTKCBJQEPMW-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.87
Rot. Bonds5

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

N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 116774601) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID116774601
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(C2(OC)CCCC(C)C2)n1
InChIInChI=1S/C15H26N2OS/c1-5-16-12(3)13-10-19-14(17-13)15(18-4)8-6-7-11(2)9-15/h10-12,16H,5-9H2,1-4H3
InChIKeyNKYJTKCBJQEPMW-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-amine
CID 116782578
N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774611
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65415825
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116774588
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (CID 116774601) is N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(C2(OC)CCCC(C)C2)n1.
What is the InChIKey of N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is NKYJTKCBJQEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-16-12(3)13-10-19-14(17-13)15(18-4)8-6-7-11(2)9-15/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 116774601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).