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

C14H10N2O2S — CID 11254232

IUPAC2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H10N2O2S/c17-11-5-3-4-10(8-11)9-15-16-14(18)12-6-1-2-7-13(12)19-16/h1-9,17H/b15-9+
InChIKeyVDPPQKVVTNJRRI-OQLLNIDSSA-N
MW270.31 g/mol
LogP2.65
Rot. Bonds2

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

2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (PubChem CID 11254232) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
PubChem CID11254232
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H10N2O2S/c17-11-5-3-4-10(8-11)9-15-16-14(18)12-6-1-2-7-13(12)19-16/h1-9,17H/b15-9+
InChIKeyVDPPQKVVTNJRRI-OQLLNIDSSA-N
XLogP2.65
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(E)-(3-hydroxyphenyl)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-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
CID 168294077
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
N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 6893639
2-[(E)-(4-methoxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 10684466
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)-(3,4-dihydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135871509
2-[(E)-(3,4-dihydroxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 135871511
2-[(E)-(2,4-dihydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135871512
2-[(E)-(4-hydroxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 135871517

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (CID 11254232) is 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1/N=C/c1cccc(O)c1.
What is the InChIKey of 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The InChIKey is VDPPQKVVTNJRRI-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-11-5-3-4-10(8-11)9-15-16-14(18)12-6-1-2-7-13(12)19-16/h1-9,17H/b15-9+.
What are the key properties of 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one has a molecular weight of 270.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is sourced from PubChem (CID 11254232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).