2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol

C14H17NO2S — CID 116852103

IUPAC2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCOc1c(C)cc(C)cc1-c1ncc(CCO)s1
InChIInChI=1S/C14H17NO2S/c1-9-6-10(2)13(17-3)12(7-9)14-15-8-11(18-14)4-5-16/h6-8,16H,4-5H2,1-3H3
InChIKeyZXRBCOIDCUCWIV-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol

2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852103) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852103
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCOc1c(C)cc(C)cc1-c1ncc(CCO)s1
InChIInChI=1S/C14H17NO2S/c1-9-6-10(2)13(17-3)12(7-9)14-15-8-11(18-14)4-5-16/h6-8,16H,4-5H2,1-3H3
InChIKeyZXRBCOIDCUCWIV-UHFFFAOYSA-N
XLogP2.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 68570073
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852089
2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 84606396
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol (CID 116852103) is 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol is COc1c(C)cc(C)cc1-c1ncc(CCO)s1.
What is the InChIKey of 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is ZXRBCOIDCUCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-6-10(2)13(17-3)12(7-9)14-15-8-11(18-14)4-5-16/h6-8,16H,4-5H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol?
2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 263.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).