1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C16H28N2OS — CID 116774239

IUPAC1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC1(c2nc(C)c(C(C)NC)s2)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-6-19-16(9-7-11(2)8-10-16)15-18-13(4)14(20-15)12(3)17-5/h11-12,17H,6-10H2,1-5H3
InChIKeyLNBZYSCTQQVUJV-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 116774239) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID116774239
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC1(c2nc(C)c(C(C)NC)s2)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-6-19-16(9-7-11(2)8-10-16)15-18-13(4)14(20-15)12(3)17-5/h11-12,17H,6-10H2,1-5H3
InChIKeyLNBZYSCTQQVUJV-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774276
1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 104611581
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362011
1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777835
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116774647
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727561
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 116774239) is 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CCOC1(c2nc(C)c(C(C)NC)s2)CCC(C)CC1.
What is the InChIKey of 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is LNBZYSCTQQVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-19-16(9-7-11(2)8-10-16)15-18-13(4)14(20-15)12(3)17-5/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 296.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 116774239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).