[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine

C13H22N2S — CID 65414439

IUPAC[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCC(c2nc(C)c(CN)s2)C1
InChIInChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-9(2)12(8-14)16-13/h10-11H,3-8,14H2,1-2H3
InChIKeyYGOCNCFJINHQDT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.59
Rot. Bonds3

About [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine

[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 65414439) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID65414439
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCC(c2nc(C)c(CN)s2)C1
InChIInChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-9(2)12(8-14)16-13/h10-11H,3-8,14H2,1-2H3
InChIKeyYGOCNCFJINHQDT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65415450
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406205
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841091
[4-methyl-2-(thiolan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115028914
1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365976
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65413627
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65415632
[2-(2,2-dimethylcyclopropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 107925814
2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275580

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 65414439) is [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine is CCC1CCCC(c2nc(C)c(CN)s2)C1.
What is the InChIKey of [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is YGOCNCFJINHQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-10-5-4-6-11(7-10)13-15-9(2)12(8-14)16-13/h10-11H,3-8,14H2,1-2H3.
What are the key properties of [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).