N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide

C17H15N3O5S — CID 143516562

IUPACN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cccc(/C=N/OCC(=O)Nc2nc3ccc(O)cc3s2)c1O
InChIInChI=1S/C17H15N3O5S/c1-24-13-4-2-3-10(16(13)23)8-18-25-9-15(22)20-17-19-12-6-5-11(21)7-14(12)26-17/h2-8,21,23H,9H2,1H3,(H,19,20,22)/b18-8+
InChIKeyNIZBOEDCEAJPIN-QGMBQPNBSA-N
MW373.39 g/mol
LogP2.71
Rot. Bonds6

About N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide

N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 143516562) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide
PubChem CID143516562
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cccc(/C=N/OCC(=O)Nc2nc3ccc(O)cc3s2)c1O
InChIInChI=1S/C17H15N3O5S/c1-24-13-4-2-3-10(16(13)23)8-18-25-9-15(22)20-17-19-12-6-5-11(21)7-14(12)26-17/h2-8,21,23H,9H2,1H3,(H,19,20,22)/b18-8+
InChIKeyNIZBOEDCEAJPIN-QGMBQPNBSA-N
XLogP2.71
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide
CID 143516498
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
2-(dicyanomethylideneamino)oxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 145337658
(E)-N-(1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 746959
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-ethoxyphenol
CID 135684528
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide (CID 143516562) is N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide is COc1cccc(/C=N/OCC(=O)Nc2nc3ccc(O)cc3s2)c1O.
What is the InChIKey of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is NIZBOEDCEAJPIN-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-24-13-4-2-3-10(16(13)23)8-18-25-9-15(22)20-17-19-12-6-5-11(21)7-14(12)26-17/h2-8,21,23H,9H2,1H3,(H,19,20,22)/b18-8+.
What are the key properties of N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide?
N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 373.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 143516562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).