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

C13H15NOS — CID 63379443

IUPAC1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(-c2csc(C(C)O)n2)cc1C
InChIInChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)12-7-16-13(14-12)10(3)15/h4-7,10,15H,1-3H3
InChIKeyXYDZUFRMTYBHSF-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.48
Rot. Bonds2

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

1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 63379443) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID63379443
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(-c2csc(C(C)O)n2)cc1C
InChIInChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)12-7-16-13(14-12)10(3)15/h4-7,10,15H,1-3H3
InChIKeyXYDZUFRMTYBHSF-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867562
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63379357
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62924128
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116867590
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 82090309
1-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867574

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol (CID 63379443) is 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol is Cc1ccc(-c2csc(C(C)O)n2)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is XYDZUFRMTYBHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-4-5-11(6-9(8)2)12-7-16-13(14-12)10(3)15/h4-7,10,15H,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol?
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 233.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 63379443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).