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

C14H10N2O2S — CID 135409953

IUPAC2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-7-5-10(6-8-11)9-15-16-14(18)12-3-1-2-4-13(12)19-16/h1-9,17H/b15-9+
InChIKeyCJPXXAOZZDULLB-OQLLNIDSSA-N
MW270.31 g/mol
LogP2.65
Rot. Bonds2

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

2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (PubChem CID 135409953) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
PubChem CID135409953
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-7-5-10(6-8-11)9-15-16-14(18)12-3-1-2-4-13(12)19-16/h1-9,17H/b15-9+
InChIKeyCJPXXAOZZDULLB-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one (CID 135409953) is 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
The InChIKey is CJPXXAOZZDULLB-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-11-7-5-10(6-8-11)9-15-16-14(18)12-3-1-2-4-13(12)19-16/h1-9,17H/b15-9+.
What are the key properties of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one?
2-[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one is sourced from PubChem (CID 135409953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).