N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide

C14H11N3O3S — CID 107721354

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
SMILESNc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1
InChIInChI=1S/C14H11N3O3S/c15-7-1-3-10-12(5-7)21-14(16-10)17-13(20)9-6-8(18)2-4-11(9)19/h1-6,18-19H,15H2,(H,16,17,20)
InChIKeyFTKFEGUAKTUFBR-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.54
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide

N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide (PubChem CID 107721354) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
PubChem CID107721354
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
SMILESNc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1
InChIInChI=1S/C14H11N3O3S/c15-7-1-3-10-12(5-7)21-14(16-10)17-13(20)9-6-8(18)2-4-11(9)19/h1-6,18-19H,15H2,(H,16,17,20)
InChIKeyFTKFEGUAKTUFBR-UHFFFAOYSA-N
XLogP2.54
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103602080
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide (CID 107721354) is N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide is Nc1ccc2nc(NC(=O)c3cc(O)ccc3O)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide?
The InChIKey is FTKFEGUAKTUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-7-1-3-10-12(5-7)21-14(16-10)17-13(20)9-6-8(18)2-4-11(9)19/h1-6,18-19H,15H2,(H,16,17,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide has a molecular weight of 301.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).