1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine

C14H24N2S — CID 65391518

IUPAC1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCC1CCC(c2ncc(C(C)NC)s2)CC1
InChIInChI=1S/C14H24N2S/c1-4-11-5-7-12(8-6-11)14-16-9-13(17-14)10(2)15-3/h9-12,15H,4-8H2,1-3H3
InChIKeyQTMXSOSYVWALQZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 65391518) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID65391518
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCC1CCC(c2ncc(C(C)NC)s2)CC1
InChIInChI=1S/C14H24N2S/c1-4-11-5-7-12(8-6-11)14-16-9-13(17-14)10(2)15-3/h9-12,15H,4-8H2,1-3H3
InChIKeyQTMXSOSYVWALQZ-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65391520
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089955
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
1-[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115388350
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687
N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 115998367
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
N-[[2-(3-ethylcyclopentyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405428
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750040

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 65391518) is 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine is CCC1CCC(c2ncc(C(C)NC)s2)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is QTMXSOSYVWALQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11-5-7-12(8-6-11)14-16-9-13(17-14)10(2)15-3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 252.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 65391518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).