2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol

C13H15NOS — CID 65168363

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol
SMILESCc1nc(CC(O)c2ccccc2)sc1C
InChIInChI=1S/C13H15NOS/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3
InChIKeyLAAROOPTJCGCCM-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol (PubChem CID 65168363) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol
PubChem CID65168363
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol
SMILESCc1nc(CC(O)c2ccccc2)sc1C
InChIInChI=1S/C13H15NOS/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3
InChIKeyLAAROOPTJCGCCM-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol (CID 65168363) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol is Cc1nc(CC(O)c2ccccc2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol?
The InChIKey is LAAROOPTJCGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol has a molecular weight of 233.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanol is sourced from PubChem (CID 65168363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).