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

C14H24N2S — CID 114275580

IUPAC2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCC1CCCC(c2nc(CCNC)cs2)C1
InChIInChI=1S/C14H24N2S/c1-3-11-5-4-6-12(9-11)14-16-13(10-17-14)7-8-15-2/h10-12,15H,3-9H2,1-2H3
InChIKeyNGMKDTQPTSWASF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.59
Rot. Bonds5

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

2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 114275580) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID114275580
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCC1CCCC(c2nc(CCNC)cs2)C1
InChIInChI=1S/C14H24N2S/c1-3-11-5-4-6-12(9-11)14-16-13(10-17-14)7-8-15-2/h10-12,15H,3-9H2,1-2H3
InChIKeyNGMKDTQPTSWASF-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 114275580) is 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine is CCC1CCCC(c2nc(CCNC)cs2)C1.
What is the InChIKey of 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is NGMKDTQPTSWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-11-5-4-6-12(9-11)14-16-13(10-17-14)7-8-15-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 114275580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).