2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one

C15H11FN2OS — CID 42604266

IUPAC2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
SMILESCc1ccc2sn(/N=C/c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C15H11FN2OS/c1-10-2-7-14-13(8-10)15(19)18(20-14)17-9-11-3-5-12(16)6-4-11/h2-9H,1H3/b17-9+
InChIKeyWSAGPPATUKETAY-RQZCQDPDSA-N
MW286.33 g/mol
LogP3.39
Rot. Bonds2

About 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one

2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one (PubChem CID 42604266) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
PubChem CID42604266
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
SMILESCc1ccc2sn(/N=C/c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C15H11FN2OS/c1-10-2-7-14-13(8-10)15(19)18(20-14)17-9-11-3-5-12(16)6-4-11/h2-9H,1H3/b17-9+
InChIKeyWSAGPPATUKETAY-RQZCQDPDSA-N
XLogP3.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10684466
2-(2,4-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one
CID 52950326
2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10756551
5-methyl-2-phenyl-1,2-benzothiazol-3-one
CID 22416232
6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
ethane;(E)-1-(4-fluorophenyl)-N-(4-methylphenyl)sulfanylmethanimine
CID 156831161
3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5498787
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
CID 11579513
3-[(4-methoxyphenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 813665
3-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 6051021
3-chloro-N-[(4-fluorophenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 4260375
6-bromo-2-tert-butyl-3-[(4-fluorophenyl)methylideneamino]quinazolin-4-one
CID 126307066

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one (CID 42604266) is 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one is Cc1ccc2sn(/N=C/c3ccc(F)cc3)c(=O)c2c1.
What is the InChIKey of 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The InChIKey is WSAGPPATUKETAY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-10-2-7-14-13(8-10)15(19)18(20-14)17-9-11-3-5-12(16)6-4-11/h2-9H,1H3/b17-9+.
What are the key properties of 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one has a molecular weight of 286.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 42604266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).