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

C14H10N2O3S — CID 135871509

IUPAC2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H10N2O3S/c17-11-6-5-9(7-12(11)18)8-15-16-14(19)10-3-1-2-4-13(10)20-16/h1-8,17-18H/b15-8+
InChIKeyLEZVZTVYWFTJJK-OVCLIPMQSA-N
MW286.31 g/mol
LogP2.36
Rot. Bonds2

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

2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (PubChem CID 135871509) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
PubChem CID135871509
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H10N2O3S/c17-11-6-5-9(7-12(11)18)8-15-16-14(19)10-3-1-2-4-13(10)20-16/h1-8,17-18H/b15-8+
InChIKeyLEZVZTVYWFTJJK-OVCLIPMQSA-N
XLogP2.36
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-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

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135614293
2-[(3,4-dihydroxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 135401392
N-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 336730
N'-[(E)-(3,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135458705
2-[(E)-(3-hydroxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 42604259
2-[(E)-(4-hydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135409953
2-[(E)-(3-hydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 11254232
2-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135439505
2-[(E)-(2-hydroxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 135456731
2-{[(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}-1,2-benzothiazol-3(2H)-one
CID 135529690
2-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 135529837
2-[(E)-(3,4-dihydroxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 135871511

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (CID 135871509) is 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The InChIKey is LEZVZTVYWFTJJK-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-11-6-5-9(7-12(11)18)8-15-16-14(19)10-3-1-2-4-13(10)20-16/h1-8,17-18H/b15-8+.
What are the key properties of 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one has a molecular weight of 286.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is sourced from PubChem (CID 135871509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).