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

C13H15NOS — CID 112641881

IUPAC1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2cncs2)c(C)c1
InChIInChI=1S/C13H15NOS/c1-9-3-4-12(10(2)5-9)13(15)6-11-7-14-8-16-11/h3-5,7-8,13,15H,6H2,1-2H3
InChIKeyRSJISOWHQLEWQY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112641881) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112641881
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2cncs2)c(C)c1
InChIInChI=1S/C13H15NOS/c1-9-3-4-12(10(2)5-9)13(15)6-11-7-14-8-16-11/h3-5,7-8,13,15H,6H2,1-2H3
InChIKeyRSJISOWHQLEWQY-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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Related Compounds

1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 112641881) is 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol is Cc1ccc(C(O)Cc2cncs2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is RSJISOWHQLEWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-3-4-12(10(2)5-9)13(15)6-11-7-14-8-16-11/h3-5,7-8,13,15H,6H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol 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 1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112641881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).