2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole

C16H15NO2S — CID 16766166

IUPAC2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
SMILESCCOc1c(OC)cccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15NO2S/c1-3-19-15-11(7-6-9-13(15)18-2)16-17-12-8-4-5-10-14(12)20-16/h4-10H,3H2,1-2H3
InChIKeyGOHLFXLJKPRJCQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole

2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole (PubChem CID 16766166) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
PubChem CID16766166
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
SMILESCCOc1c(OC)cccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H15NO2S/c1-3-19-15-11(7-6-9-13(15)18-2)16-17-12-8-4-5-10-14(12)20-16/h4-10H,3H2,1-2H3
InChIKeyGOHLFXLJKPRJCQ-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
2-[2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methoxy]phenyl]-1,3-benzothiazole;zinc
CID 143715432
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 26181557
[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-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709
2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole (CID 16766166) is 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole is CCOc1c(OC)cccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is GOHLFXLJKPRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-3-19-15-11(7-6-9-13(15)18-2)16-17-12-8-4-5-10-14(12)20-16/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole?
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole has a molecular weight of 285.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 16766166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).