2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C11H9N3O5S — CID 11601774

IUPAC2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O
InChIInChI=1S/C11H9N3O5S/c1-19-7-4-2-3-6(9(7)15)10(16)13-11-12-5-8(20-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyWFRKYUVPEZHZBG-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.02
Rot. Bonds4

About 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 11601774) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID11601774
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC Name2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O
InChIInChI=1S/C11H9N3O5S/c1-19-7-4-2-3-6(9(7)15)10(16)13-11-12-5-8(20-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyWFRKYUVPEZHZBG-UHFFFAOYSA-N
XLogP2.02
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Nitazoxanide
CID 41684
Tizoxanide
CID 394397
N-(5-nitrothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3126531
2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3120539
2-hydroxy-3-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11956388
Ethyl [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
2-hydroxy-4-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11550881
2-hydroxy-5-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11587226
[2-Methyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate
CID 11645459
N-(5-nitro-2-thiazolyl)-2-(trifluoromethoxy)Benzamide
CID 137658973
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
3-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 9881749

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 11601774) is 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is WFRKYUVPEZHZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c1-19-7-4-2-3-6(9(7)15)10(16)13-11-12-5-8(20-11)14(17)18/h2-5,15H,1H3,(H,12,13,16).
What are the key properties of 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 295.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11601774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).