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

C11H9N3O4S — CID 11956388

IUPAC2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O
InChIInChI=1S/C11H9N3O4S/c1-6-3-2-4-7(9(6)15)10(16)13-11-12-5-8(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyICDCVRJWUJSYAX-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.32
Rot. Bonds3

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

2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 11956388) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID11956388
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O
InChIInChI=1S/C11H9N3O4S/c1-6-3-2-4-7(9(6)15)10(16)13-11-12-5-8(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyICDCVRJWUJSYAX-UHFFFAOYSA-N
XLogP2.32
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 11956388) is 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is ICDCVRJWUJSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-6-3-2-4-7(9(6)15)10(16)13-11-12-5-8(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16).
What are the key properties of 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11956388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).