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

C14H23NOS — CID 65401770

IUPAC1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C14H23NOS/c1-9(2)11-4-6-12(7-5-11)14-15-13(8-17-14)10(3)16/h8-12,16H,4-7H2,1-3H3
InChIKeyGLQUVGUOAAUFGW-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.13
Rot. Bonds3

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

1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65401770) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol
PubChem CID65401770
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C14H23NOS/c1-9(2)11-4-6-12(7-5-11)14-15-13(8-17-14)10(3)16/h8-12,16H,4-7H2,1-3H3
InChIKeyGLQUVGUOAAUFGW-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol (CID 65401770) is 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2CCC(C(C)C)CC2)n1.
What is the InChIKey of 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is GLQUVGUOAAUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9(2)11-4-6-12(7-5-11)14-15-13(8-17-14)10(3)16/h8-12,16H,4-7H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 253.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65401770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).