N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide

C15H10ClN3O2S — CID 162738361

IUPACN-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide
SMILESO=C(N/N=C/c1nc2ccccc2s1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClN3O2S/c16-9-5-6-12(20)10(7-9)15(21)19-17-8-14-18-11-3-1-2-4-13(11)22-14/h1-8,20H,(H,19,21)/b17-8+
InChIKeyNQDYLHLUTCWJDL-CAOOACKPSA-N
MW331.78 g/mol
LogP3.42
Rot. Bonds3

About N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide

N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide (PubChem CID 162738361) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide
PubChem CID162738361
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC NameN-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide
SMILESO=C(N/N=C/c1nc2ccccc2s1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClN3O2S/c16-9-5-6-12(20)10(7-9)15(21)19-17-8-14-18-11-3-1-2-4-13(11)22-14/h1-8,20H,(H,19,21)/b17-8+
InChIKeyNQDYLHLUTCWJDL-CAOOACKPSA-N
XLogP3.42
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
CID 15366501
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
CID 43069942
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
5-chloro-N-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-2-hydroxybenzamide
CID 7338820
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]propanamide
CID 135624586
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 9030524
5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5410349
5-chloro-2-hydroxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9297976

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide (CID 162738361) is N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide is O=C(N/N=C/c1nc2ccccc2s1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide?
The InChIKey is NQDYLHLUTCWJDL-CAOOACKPSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c16-9-5-6-12(20)10(7-9)15(21)19-17-8-14-18-11-3-1-2-4-13(11)22-14/h1-8,20H,(H,19,21)/b17-8+.
What are the key properties of N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide?
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide has a molecular weight of 331.78 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 162738361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).