1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C12H20N2S — CID 43215831

IUPAC1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-10-14-12(9-15-10)8-13-7-11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3
InChIKeyGQBLRGQMYIMABA-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds4

About 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 43215831) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID43215831
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-10-14-12(9-15-10)8-13-7-11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3
InChIKeyGQBLRGQMYIMABA-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]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 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 43215831) is 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCC2CCCCC2)cs1.
What is the InChIKey of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GQBLRGQMYIMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-14-12(9-15-10)8-13-7-11-5-3-2-4-6-11/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43215831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).