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

C13H15NOS — CID 79825091

IUPAC1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCc1cccc(C(O)Cc2nccs2)c1C
InChIInChI=1S/C13H15NOS/c1-9-4-3-5-11(10(9)2)12(15)8-13-14-6-7-16-13/h3-7,12,15H,8H2,1-2H3
InChIKeyBLAGRHVMHOYJLM-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.04
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 79825091) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID79825091
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCc1cccc(C(O)Cc2nccs2)c1C
InChIInChI=1S/C13H15NOS/c1-9-4-3-5-11(10(9)2)12(15)8-13-14-6-7-16-13/h3-7,12,15H,8H2,1-2H3
InChIKeyBLAGRHVMHOYJLM-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-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
[1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324660
1-(5-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79824094
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
CID 103825960
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739903
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol (CID 79825091) is 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol is Cc1cccc(C(O)Cc2nccs2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is BLAGRHVMHOYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-4-3-5-11(10(9)2)12(15)8-13-14-6-7-16-13/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol?
1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-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-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 79825091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).