2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol

C14H17NO4S — CID 79824429

IUPAC2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2nccs2)cc(OC)c1OC
InChIInChI=1S/C14H17NO4S/c1-17-11-6-9(7-12(18-2)14(11)19-3)10(16)8-13-15-4-5-20-13/h4-7,10,16H,8H2,1-3H3
InChIKeyLSCQMHLWMTWBTQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.44
Rot. Bonds6

About 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol

2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 79824429) 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-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID79824429
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2nccs2)cc(OC)c1OC
InChIInChI=1S/C14H17NO4S/c1-17-11-6-9(7-12(18-2)14(11)19-3)10(16)8-13-15-4-5-20-13/h4-7,10,16H,8H2,1-3H3
InChIKeyLSCQMHLWMTWBTQ-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-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
1-(3,5-difluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823901
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 115816807
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
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
1-(2-methylquinolin-6-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105379140

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol (CID 79824429) is 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol is COc1cc(C(O)Cc2nccs2)cc(OC)c1OC.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is LSCQMHLWMTWBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-17-11-6-9(7-12(18-2)14(11)19-3)10(16)8-13-15-4-5-20-13/h4-7,10,16H,8H2,1-3H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol?
2-(1,3-thiazol-2-yl)-1-(3,4,5-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-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 79824429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).