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

C16H28N2OS — CID 116777835

IUPAC1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC1(c2nc(C)c(CNC)s2)CCC(C)(C)CC1
InChIInChI=1S/C16H28N2OS/c1-6-19-16(9-7-15(3,4)8-10-16)14-18-12(2)13(20-14)11-17-5/h17H,6-11H2,1-5H3
InChIKeyIIXREGMQMFKTTE-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.00
Rot. Bonds5

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

1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116777835) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116777835
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC1(c2nc(C)c(CNC)s2)CCC(C)(C)CC1
InChIInChI=1S/C16H28N2OS/c1-6-19-16(9-7-15(3,4)8-10-16)14-18-12(2)13(20-14)11-17-5/h17H,6-11H2,1-5H3
InChIKeyIIXREGMQMFKTTE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine 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

1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116778029
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361180
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910
methyl 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744463
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116777835) is 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC1(c2nc(C)c(CNC)s2)CCC(C)(C)CC1.
What is the InChIKey of 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IIXREGMQMFKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-19-16(9-7-15(3,4)8-10-16)14-18-12(2)13(20-14)11-17-5/h17H,6-11H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 296.48 g/mol, XLogP of 4.00, 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-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116777835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).