1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol

C14H23NOS — CID 65401573

IUPAC1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCCCC1CCC(c2nc(C(C)O)cs2)CC1
InChIInChI=1S/C14H23NOS/c1-3-4-11-5-7-12(8-6-11)14-15-13(9-17-14)10(2)16/h9-12,16H,3-8H2,1-2H3
InChIKeyOKICICHTRIMVRX-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol

1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65401573) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol
PubChem CID65401573
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCCCC1CCC(c2nc(C(C)O)cs2)CC1
InChIInChI=1S/C14H23NOS/c1-3-4-11-5-7-12(8-6-11)14-15-13(9-17-14)10(2)16/h9-12,16H,3-8H2,1-2H3
InChIKeyOKICICHTRIMVRX-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol (CID 65401573) is 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol is CCCC1CCC(c2nc(C(C)O)cs2)CC1.
What is the InChIKey of 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is OKICICHTRIMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-4-11-5-7-12(8-6-11)14-15-13(9-17-14)10(2)16/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 253.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65401573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).