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

C10H6ClN3O4S — CID 50908294

IUPAC5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H6ClN3O4S/c11-5-1-2-7(15)6(3-5)9(16)13-10-12-4-8(19-10)14(17)18/h1-4,15H,(H,12,13,16)
InChIKeyNAPBKEBURAGAFJ-UHFFFAOYSA-N
MW299.70 g/mol
LogP2.66
Rot. Bonds3

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

5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 50908294) has the molecular formula C10H6ClN3O4S and a molecular weight of 299.70 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID50908294
Molecular FormulaC10H6ClN3O4S
Molecular Weight299.70 g/mol
Exact Mass298.98
IUPAC Name5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H6ClN3O4S/c11-5-1-2-7(15)6(3-5)9(16)13-10-12-4-8(19-10)14(17)18/h1-4,15H,(H,12,13,16)
InChIKeyNAPBKEBURAGAFJ-UHFFFAOYSA-N
XLogP2.66
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.66
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 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 50908294) is 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is NAPBKEBURAGAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O4S/c11-5-1-2-7(15)6(3-5)9(16)13-10-12-4-8(19-10)14(17)18/h1-4,15H,(H,12,13,16).
What are the key properties of 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 299.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 50908294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).