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

C12H19NOS — CID 130501522

IUPAC2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
SMILESCCCC1CCC(c2nc(O)cs2)CC1
InChIInChI=1S/C12H19NOS/c1-2-3-9-4-6-10(7-5-9)12-13-11(14)8-15-12/h8-10,14H,2-7H2,1H3
InChIKeyYLFYQWFQEWROAA-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.92
Rot. Bonds3

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

2-(4-propylcyclohexyl)-1,3-thiazol-4-ol (PubChem CID 130501522) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
PubChem CID130501522
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
SMILESCCCC1CCC(c2nc(O)cs2)CC1
InChIInChI=1S/C12H19NOS/c1-2-3-9-4-6-10(7-5-9)12-13-11(14)8-15-12/h8-10,14H,2-7H2,1H3
InChIKeyYLFYQWFQEWROAA-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol (CID 130501522) is 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol is CCCC1CCC(c2nc(O)cs2)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol?
The InChIKey is YLFYQWFQEWROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-3-9-4-6-10(7-5-9)12-13-11(14)8-15-12/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol?
2-(4-propylcyclohexyl)-1,3-thiazol-4-ol has a molecular weight of 225.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).