[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine

C14H24N2OS — CID 116777812

IUPAC[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C)c(CN)s2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N2OS/c1-10-11(9-15)18-12(16-10)14(17-4)7-5-13(2,3)6-8-14/h5-9,15H2,1-4H3
InChIKeyRBEGSDKJTLNBTL-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.35
Rot. Bonds3

About [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine

[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 116777812) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID116777812
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C)c(CN)s2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N2OS/c1-10-11(9-15)18-12(16-10)14(17-4)7-5-13(2,3)6-8-14/h5-9,15H2,1-4H3
InChIKeyRBEGSDKJTLNBTL-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 116777812) is [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine is COC1(c2nc(C)c(CN)s2)CCC(C)(C)CC1.
What is the InChIKey of [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is RBEGSDKJTLNBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-11(9-15)18-12(16-10)14(17-4)7-5-13(2,3)6-8-14/h5-9,15H2,1-4H3.
What are the key properties of [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).