2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol

C11H17NO2S — CID 130501487

IUPAC2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol
SMILESCCOC1(c2nc(O)cs2)CCCCC1
InChIInChI=1S/C11H17NO2S/c1-2-14-11(6-4-3-5-7-11)10-12-9(13)8-15-10/h8,13H,2-7H2,1H3
InChIKeyIKQFKWNTYACWAN-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.04
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol

2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol (PubChem CID 130501487) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol
PubChem CID130501487
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol
SMILESCCOC1(c2nc(O)cs2)CCCCC1
InChIInChI=1S/C11H17NO2S/c1-2-14-11(6-4-3-5-7-11)10-12-9(13)8-15-10/h8,13H,2-7H2,1H3
InChIKeyIKQFKWNTYACWAN-UHFFFAOYSA-N
XLogP3.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol (CID 130501487) is 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol is CCOC1(c2nc(O)cs2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol?
The InChIKey is IKQFKWNTYACWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-14-11(6-4-3-5-7-11)10-12-9(13)8-15-10/h8,13H,2-7H2,1H3.
What are the key properties of 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol?
2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol has a molecular weight of 227.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).