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

C13H22N2S — CID 65415626

IUPAC1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCCC(c2nc(C(C)N)cs2)C1
InChIInChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-12(8-16-13)9(2)14/h8-11H,3-7,14H2,1-2H3
InChIKeyYPRFHQHBRBFBKI-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.85
Rot. Bonds3

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

1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 65415626) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID65415626
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCCC(c2nc(C(C)N)cs2)C1
InChIInChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-12(8-16-13)9(2)14/h8-11H,3-7,14H2,1-2H3
InChIKeyYPRFHQHBRBFBKI-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275580
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 115087846
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64543181
4-(1-aminoethyl)-N-cyclohexyl-N-ethyl-1,3-thiazol-2-amine
CID 64544532
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
4-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 79692524
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
2-(3-ethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 65415033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (CID 65415626) is 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is CCC1CCCC(c2nc(C(C)N)cs2)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is YPRFHQHBRBFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-12(8-16-13)9(2)14/h8-11H,3-7,14H2,1-2H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 238.40 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-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 65415626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).