5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide

C11H8ClN3O3S — CID 62186371

IUPAC5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O3S/c12-7-1-2-10(15(17)18)9(3-7)11(16)13-4-8-5-19-6-14-8/h1-3,5-6H,4H2,(H,13,16)
InChIKeyLZMAJNVGBXSBOF-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide

5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 62186371) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID62186371
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O3S/c12-7-1-2-10(15(17)18)9(3-7)11(16)13-4-8-5-19-6-14-8/h1-3,5-6H,4H2,(H,13,16)
InChIKeyLZMAJNVGBXSBOF-UHFFFAOYSA-N
XLogP2.63
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.63
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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Related Compounds

5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346153
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-nitrobenzamide
CID 121122589
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
5-chloro-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 56804285
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
5-chloro-2-nitro-N-(2,2,3-trimethylbutyl)benzamide
CID 102610522
5-chloro-N-[(2,6-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 68546575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 62186371) is 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is LZMAJNVGBXSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-7-1-2-10(15(17)18)9(3-7)11(16)13-4-8-5-19-6-14-8/h1-3,5-6H,4H2,(H,13,16).
What are the key properties of 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 297.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 62186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).