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

C14H11NO2S — CID 22416218

IUPAC2-(2-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccccc1-n1sc2ccccc2c1=O
InChIInChI=1S/C14H11NO2S/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3
InChIKeyUATQPZUWKRIYBR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.06
Rot. Bonds2

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

2-(2-methoxyphenyl)-1,2-benzothiazol-3-one (PubChem CID 22416218) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,2-benzothiazol-3-one
PubChem CID22416218
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-(2-methoxyphenyl)-1,2-benzothiazol-3-one
SMILESCOc1ccccc1-n1sc2ccccc2c1=O
InChIInChI=1S/C14H11NO2S/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3
InChIKeyUATQPZUWKRIYBR-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

1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
CID 5401876
2-(2-Methoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621311
2-(4-Methoxyphenyl)-1,2-benzothiazol-3-one
CID 11054313
N-(2-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
6-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 1519965
2-Iodo-2'-methoxybenzanilide
CID 615893
3-Benzoyl-3H-benzooxazol-2-one
CID 689063
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
5-Fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
CID 25181243

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one (CID 22416218) is 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one is COc1ccccc1-n1sc2ccccc2c1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one?
The InChIKey is UATQPZUWKRIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1,2-benzothiazol-3-one?
2-(2-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-(2-methoxyphenyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 22416218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).