2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one

C15H12N2O2S — CID 10684466

IUPAC2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESCOc1ccc(/C=N/n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-12-8-6-11(7-9-12)10-16-17-15(18)13-4-2-3-5-14(13)20-17/h2-10H,1H3/b16-10+
InChIKeyGLQWNQHHMDKSNG-MHWRWJLKSA-N
MW284.34 g/mol
LogP2.95
Rot. Bonds3

About 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one

2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (PubChem CID 10684466) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
PubChem CID10684466
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESCOc1ccc(/C=N/n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-12-8-6-11(7-9-12)10-16-17-15(18)13-4-2-3-5-14(13)20-17/h2-10H,1H3/b16-10+
InChIKeyGLQWNQHHMDKSNG-MHWRWJLKSA-N
XLogP2.95
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10756551
2-[(E)-furan-2-ylmethylideneamino]-1,2-benzothiazol-3-one
CID 10538245
2-[(E)-(4-fluorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
CID 42604266
2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
CID 2328639
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 166593604
6-[(Z)-(4-methoxyphenyl)methylideneamino]-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 5467395
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
3-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 6868596
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
CID 4143031
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (CID 10684466) is 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is COc1ccc(/C=N/n2sc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The InChIKey is GLQWNQHHMDKSNG-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-8-6-11(7-9-12)10-16-17-15(18)13-4-2-3-5-14(13)20-17/h2-10H,1H3/b16-10+.
What are the key properties of 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one has a molecular weight of 284.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is sourced from PubChem (CID 10684466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).