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

C10H6ClN3O3S — CID 3108179

IUPAC3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN3O3S/c11-7-3-1-2-6(4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyUKIQZXITUSYTIM-UHFFFAOYSA-N
MW283.70 g/mol
LogP2.96
Rot. Bonds3

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

3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 3108179) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID3108179
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN3O3S/c11-7-3-1-2-6(4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyUKIQZXITUSYTIM-UHFFFAOYSA-N
XLogP2.96
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 3108179) is 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is UKIQZXITUSYTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-7-3-1-2-6(4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15).
What are the key properties of 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 283.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3108179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).