2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol

C14H17NO2S — CID 116852096

IUPAC2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCCOc1ccc(-c2ncc(CCO)s2)cc1C
InChIInChI=1S/C14H17NO2S/c1-3-17-13-5-4-11(8-10(13)2)14-15-9-12(18-14)6-7-16/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyMRFTZWVDOPMQSL-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.05
Rot. Bonds5

About 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol

2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852096) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852096
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCCOc1ccc(-c2ncc(CCO)s2)cc1C
InChIInChI=1S/C14H17NO2S/c1-3-17-13-5-4-11(8-10(13)2)14-15-9-12(18-14)6-7-16/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyMRFTZWVDOPMQSL-UHFFFAOYSA-N
XLogP3.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
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-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864423
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol (CID 116852096) is 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol is CCOc1ccc(-c2ncc(CCO)s2)cc1C.
What is the InChIKey of 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is MRFTZWVDOPMQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-17-13-5-4-11(8-10(13)2)14-15-9-12(18-14)6-7-16/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol?
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 263.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).