2-(4-methoxyphenyl)-1,2-benzothiazol-3-one

C14H11NO2S — CID 11054313

IUPAC2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccc(-n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C14H11NO2S/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyADVCMQZATPXDMZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one

2-(4-methoxyphenyl)-1,2-benzothiazol-3-one (PubChem CID 11054313) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
PubChem CID11054313
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccc(-n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C14H11NO2S/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyADVCMQZATPXDMZ-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
2-(2-Methoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621311
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
6-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 1519965
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042
1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-
CID 3067584

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one (CID 11054313) is 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one is COc1ccc(-n2sc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
The InChIKey is ADVCMQZATPXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one?
2-(4-methoxyphenyl)-1,2-benzothiazol-3-one has a molecular weight of 257.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 11054313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).