2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C15H9ClN4O3S — CID 4826312

IUPAC2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H9ClN4O3S/c16-11-7-9(20(22)23)4-5-10(11)14(21)19-15-18-13(8-24-15)12-3-1-2-6-17-12/h1-8H,(H,18,19,21)
InChIKeyRRTJOQVRJNMHFX-UHFFFAOYSA-N
MW360.78 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4826312) has the molecular formula C15H9ClN4O3S and a molecular weight of 360.78 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4826312
Molecular FormulaC15H9ClN4O3S
Molecular Weight360.78 g/mol
Exact Mass360.01
IUPAC Name2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H9ClN4O3S/c16-11-7-9(20(22)23)4-5-10(11)14(21)19-15-18-13(8-24-15)12-3-1-2-6-17-12/h1-8H,(H,18,19,21)
InChIKeyRRTJOQVRJNMHFX-UHFFFAOYSA-N
XLogP4.02
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
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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Related Compounds

3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
2-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 39015982
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2-chloro-4-nitro-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3910759
2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
2-(4-nitrophenyl)sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 26203124
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-chloro-4-nitrobenzamide
CID 46668578
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 78835415
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 4310552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4826312) is 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RRTJOQVRJNMHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O3S/c16-11-7-9(20(22)23)4-5-10(11)14(21)19-15-18-13(8-24-15)12-3-1-2-6-17-12/h1-8H,(H,18,19,21).
What are the key properties of 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 360.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4826312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).