2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol

C13H15NO2S — CID 116867830

IUPAC2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCOc1cccc(-c2nc(CCO)sc2C)c1
InChIInChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)6-7-15)10-4-3-5-11(8-10)16-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLDXNJPIECYBUJB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol

2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (PubChem CID 116867830) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
PubChem CID116867830
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCOc1cccc(-c2nc(CCO)sc2C)c1
InChIInChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)6-7-15)10-4-3-5-11(8-10)16-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyLDXNJPIECYBUJB-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[2-(3-methoxyphenyl)-3-pyridinyl]ethanol
CID 117001607
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
CID 116867812
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (CID 116867830) is 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is COc1cccc(-c2nc(CCO)sc2C)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The InChIKey is LDXNJPIECYBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)6-7-15)10-4-3-5-11(8-10)16-2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).