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

C15H25NOS — CID 65412796

IUPAC1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25NOS/c1-10(17)13-9-18-14(16-13)11-5-7-12(8-6-11)15(2,3)4/h9-12,17H,5-8H2,1-4H3
InChIKeyNNMMHTCYSYUZEK-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.52
Rot. Bonds2

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

1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65412796) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol
PubChem CID65412796
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25NOS/c1-10(17)13-9-18-14(16-13)11-5-7-12(8-6-11)15(2,3)4/h9-12,17H,5-8H2,1-4H3
InChIKeyNNMMHTCYSYUZEK-UHFFFAOYSA-N
XLogP4.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol (CID 65412796) is 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is NNMMHTCYSYUZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10(17)13-9-18-14(16-13)11-5-7-12(8-6-11)15(2,3)4/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 267.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65412796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).