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

C13H22N2OS — CID 113373188

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2nccs2)CC1
InChIInChI=1S/C13H22N2OS/c1-2-10-3-5-13(9-14,6-4-10)11(16)12-15-7-8-17-12/h7-8,10-11,16H,2-6,9,14H2,1H3
InChIKeyDAONDADWIDKUAC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.72
Rot. Bonds4

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

[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 113373188) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol
PubChem CID113373188
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2nccs2)CC1
InChIInChI=1S/C13H22N2OS/c1-2-10-3-5-13(9-14,6-4-10)11(16)12-15-7-8-17-12/h7-8,10-11,16H,2-6,9,14H2,1H3
InChIKeyDAONDADWIDKUAC-UHFFFAOYSA-N
XLogP2.72
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol (CID 113373188) is [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol is CCC1CCC(CN)(C(O)c2nccs2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is DAONDADWIDKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-10-3-5-13(9-14,6-4-10)11(16)12-15-7-8-17-12/h7-8,10-11,16H,2-6,9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 254.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 113373188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).