1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine

C12H20N2S — CID 3500809

IUPAC1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-9(13-2)12-14-11(8-15-12)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNMXRDZPLJYFGNY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 3500809) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID3500809
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-9(13-2)12-14-11(8-15-12)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNMXRDZPLJYFGNY-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 3500809) is 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(C)c1nc(C2CCCCC2)cs1.
What is the InChIKey of 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is NMXRDZPLJYFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(13-2)12-14-11(8-15-12)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 3500809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).