2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol

C14H17NO4S — CID 79823539

IUPAC2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2nccs2)c(OC)c1OC
InChIInChI=1S/C14H17NO4S/c1-17-11-5-4-9(13(18-2)14(11)19-3)10(16)8-12-15-6-7-20-12/h4-7,10,16H,8H2,1-3H3
InChIKeyCQLSPQYUQGAFPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.44
Rot. Bonds6

About 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol

2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol (PubChem CID 79823539) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
PubChem CID79823539
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2nccs2)c(OC)c1OC
InChIInChI=1S/C14H17NO4S/c1-17-11-5-4-9(13(18-2)14(11)19-3)10(16)8-12-15-6-7-20-12/h4-7,10,16H,8H2,1-3H3
InChIKeyCQLSPQYUQGAFPZ-UHFFFAOYSA-N
XLogP2.44
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79824429
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
1-(2,3-dimethylphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825091
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol (CID 79823539) is 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol is COc1ccc(C(O)Cc2nccs2)c(OC)c1OC.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol?
The InChIKey is CQLSPQYUQGAFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-17-11-5-4-9(13(18-2)14(11)19-3)10(16)8-12-15-6-7-20-12/h4-7,10,16H,8H2,1-3H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol?
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol has a molecular weight of 295.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol is sourced from PubChem (CID 79823539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).