1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone

C17H15NO4S — CID 121359997

IUPAC1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc3cccc(OC)c3s2)c(O)c1
InChIInChI=1S/C17H15NO4S/c1-21-10-6-7-11(13(19)8-10)14(20)9-16-18-12-4-3-5-15(22-2)17(12)23-16/h3-8,19H,9H2,1-2H3
InChIKeyYYIRZBAQOURDAF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone

1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone (PubChem CID 121359997) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone
PubChem CID121359997
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc3cccc(OC)c3s2)c(O)c1
InChIInChI=1S/C17H15NO4S/c1-21-10-6-7-11(13(19)8-10)14(20)9-16-18-12-4-3-5-15(22-2)17(12)23-16/h3-8,19H,9H2,1-2H3
InChIKeyYYIRZBAQOURDAF-UHFFFAOYSA-N
XLogP3.44
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
CID 161326312
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone (CID 121359997) is 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone is COc1ccc(C(=O)Cc2nc3cccc(OC)c3s2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone?
The InChIKey is YYIRZBAQOURDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-21-10-6-7-11(13(19)8-10)14(20)9-16-18-12-4-3-5-15(22-2)17(12)23-16/h3-8,19H,9H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone?
1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone has a molecular weight of 329.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone is sourced from PubChem (CID 121359997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).