4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol

C17H15NO2S — CID 142714315

IUPAC4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4c(cc3s2)CCC4)ccc1O
InChIInChI=1S/C17H15NO2S/c1-20-15-8-12(5-6-14(15)19)17-18-13-7-10-3-2-4-11(10)9-16(13)21-17/h5-9,19H,2-4H2,1H3
InChIKeyVJDWXZZYQFYPGG-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.17
Rot. Bonds2

About 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol

4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol (PubChem CID 142714315) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol
PubChem CID142714315
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4c(cc3s2)CCC4)ccc1O
InChIInChI=1S/C17H15NO2S/c1-20-15-8-12(5-6-14(15)19)17-18-13-7-10-3-2-4-11(10)9-16(13)21-17/h5-9,19H,2-4H2,1H3
InChIKeyVJDWXZZYQFYPGG-UHFFFAOYSA-N
XLogP4.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 112730271
4-[[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-methylamino]-2-methoxyphenol
CID 142749800
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 136690611
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273
methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol (CID 142714315) is 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol is COc1cc(-c2nc3cc4c(cc3s2)CCC4)ccc1O.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol?
The InChIKey is VJDWXZZYQFYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-20-15-8-12(5-6-14(15)19)17-18-13-7-10-3-2-4-11(10)9-16(13)21-17/h5-9,19H,2-4H2,1H3.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol?
4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol has a molecular weight of 297.38 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 142714315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).