2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol

C13H15NOS — CID 83292082

IUPAC2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(Cc2ccccc2)sc1CCO
InChIInChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3
InChIKeyCTILWSYBOVXULK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.58
Rot. Bonds4

About 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol

2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 83292082) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID83292082
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(Cc2ccccc2)sc1CCO
InChIInChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3
InChIKeyCTILWSYBOVXULK-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol (CID 83292082) is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol is Cc1nc(Cc2ccccc2)sc1CCO.
What is the InChIKey of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is CTILWSYBOVXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3.
What are the key properties of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 83292082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).