2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

C11H9N3O4S — CID 103800073

IUPAC2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H9N3O4S/c15-10-7(2-1-3-8(10)14(17)18)11(16)13-6-9-12-4-5-19-9/h1-5,15H,6H2,(H,13,16)
InChIKeyOQAIDTZHSDOAMS-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.69
Rot. Bonds4

About 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 103800073) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID103800073
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H9N3O4S/c15-10-7(2-1-3-8(10)14(17)18)11(16)13-6-9-12-4-5-19-9/h1-5,15H,6H2,(H,13,16)
InChIKeyOQAIDTZHSDOAMS-UHFFFAOYSA-N
XLogP1.69
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115936633
2-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide
CID 103800333
N-[(3-ethylthiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103800416
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761
2-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]-3-nitrobenzamide
CID 103749147
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
3-nitro-2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 112576885
3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110463662
2-hydroxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 103746398
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103746388
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60972399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 103800073) is 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is OQAIDTZHSDOAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-10-7(2-1-3-8(10)14(17)18)11(16)13-6-9-12-4-5-19-9/h1-5,15H,6H2,(H,13,16).
What are the key properties of 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 103800073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).