1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol

C12H13NOS — CID 112641878

IUPAC1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2cncs2)c1
InChIInChI=1S/C12H13NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h2-5,7-8,12,14H,6H2,1H3
InChIKeyGSSGMIMHAPINSI-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.73
Rot. Bonds3

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

1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112641878) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112641878
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1cccc(C(O)Cc2cncs2)c1
InChIInChI=1S/C12H13NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h2-5,7-8,12,14H,6H2,1H3
InChIKeyGSSGMIMHAPINSI-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641881
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642897
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 112641878) is 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is Cc1cccc(C(O)Cc2cncs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is GSSGMIMHAPINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h2-5,7-8,12,14H,6H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 219.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112641878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).