[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C15H19NO4S — CID 82441264

IUPAC[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOc1c(OC)cccc1-c1nc(COC)c(CO)s1
InChIInChI=1S/C15H19NO4S/c1-4-20-14-10(6-5-7-12(14)19-3)15-16-11(9-18-2)13(8-17)21-15/h5-7,17H,4,8-9H2,1-3H3
InChIKeyIRSSTQBWOAXUSS-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.86
Rot. Bonds7

About [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82441264) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82441264
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOc1c(OC)cccc1-c1nc(COC)c(CO)s1
InChIInChI=1S/C15H19NO4S/c1-4-20-14-10(6-5-7-12(14)19-3)15-16-11(9-18-2)13(8-17)21-15/h5-7,17H,4,8-9H2,1-3H3
InChIKeyIRSSTQBWOAXUSS-UHFFFAOYSA-N
XLogP2.86
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441284
2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82441264) is [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is CCOc1c(OC)cccc1-c1nc(COC)c(CO)s1.
What is the InChIKey of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is IRSSTQBWOAXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-4-20-14-10(6-5-7-12(14)19-3)15-16-11(9-18-2)13(8-17)21-15/h5-7,17H,4,8-9H2,1-3H3.
What are the key properties of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 309.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).