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

C15H12N2O2S — CID 135871517

IUPAC2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
SMILESCc1ccc2sn(/N=C/c3ccc(O)cc3)c(=O)c2c1
InChIInChI=1S/C15H12N2O2S/c1-10-2-7-14-13(8-10)15(19)17(20-14)16-9-11-3-5-12(18)6-4-11/h2-9,18H,1H3/b16-9+
InChIKeyOAQANDKSMBAHEC-CXUHLZMHSA-N
MW284.34 g/mol
LogP2.96
Rot. Bonds2

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

2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one (PubChem CID 135871517) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
PubChem CID135871517
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
SMILESCc1ccc2sn(/N=C/c3ccc(O)cc3)c(=O)c2c1
InChIInChI=1S/C15H12N2O2S/c1-10-2-7-14-13(8-10)15(19)17(20-14)16-9-11-3-5-12(18)6-4-11/h2-9,18H,1H3/b16-9+
InChIKeyOAQANDKSMBAHEC-CXUHLZMHSA-N
XLogP2.96
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.96
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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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-sulfamoylbenzamide
CID 168279718
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)-(4-methoxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 10684466
2-[(E)-(4-methoxyphenyl)methyleneamino]-5-methyl-1,2-benzothiazol-3-one
CID 10804031
2-[(E)-(3-hydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 11254232
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]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one (CID 135871517) is 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one is Cc1ccc2sn(/N=C/c3ccc(O)cc3)c(=O)c2c1.
What is the InChIKey of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
The InChIKey is OAQANDKSMBAHEC-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-2-7-14-13(8-10)15(19)17(20-14)16-9-11-3-5-12(18)6-4-11/h2-9,18H,1H3/b16-9+.
What are the key properties of 2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one?
2-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one has a molecular weight of 284.34 g/mol, XLogP of 2.96, 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]-5-methyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 135871517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).