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

C14H24N2S — CID 65391068

IUPAC1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C14H24N2S/c1-10-12(9-15-4)17-13(16-10)11-5-7-14(2,3)8-6-11/h11,15H,5-9H2,1-4H3
InChIKeyIUAWKLNMOZILKP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.85
Rot. Bonds3

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

1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 65391068) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID65391068
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C14H24N2S/c1-10-12(9-15-4)17-13(16-10)11-5-7-14(2,3)8-6-11/h11,15H,5-9H2,1-4H3
InChIKeyIUAWKLNMOZILKP-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 65391068) is 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CCC(C)(C)CC2)nc1C.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IUAWKLNMOZILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-12(9-15-4)17-13(16-10)11-5-7-14(2,3)8-6-11/h11,15H,5-9H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65391068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).