4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide

C14H11N3O2S — CID 107802439

IUPAC4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O
InChIInChI=1S/C14H11N3O2S/c15-10-3-1-8(5-12(10)18)14(19)17-9-2-4-11-13(6-9)20-7-16-11/h1-7,18H,15H2,(H,17,19)
InChIKeyDGHZIOABHMDZSD-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.84
Rot. Bonds2

About 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide

4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide (PubChem CID 107802439) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
PubChem CID107802439
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
SMILESNc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O
InChIInChI=1S/C14H11N3O2S/c15-10-3-1-8(5-12(10)18)14(19)17-9-2-4-11-13(6-9)20-7-16-11/h1-7,18H,15H2,(H,17,19)
InChIKeyDGHZIOABHMDZSD-UHFFFAOYSA-N
XLogP2.84
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide (CID 107802439) is 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide is Nc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide?
The InChIKey is DGHZIOABHMDZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-10-3-1-8(5-12(10)18)14(19)17-9-2-4-11-13(6-9)20-7-16-11/h1-7,18H,15H2,(H,17,19).
What are the key properties of 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide?
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide has a molecular weight of 285.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide is sourced from PubChem (CID 107802439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).