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

C15H10N4O3S — CID 4158043

IUPAC3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N4O3S/c20-14(10-4-3-5-11(8-10)19(21)22)18-15-17-13(9-23-15)12-6-1-2-7-16-12/h1-9H,(H,17,18,20)
InChIKeyIARBXHZGDXEQPA-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.37
Rot. Bonds4

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

3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4158043) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4158043
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N4O3S/c20-14(10-4-3-5-11(8-10)19(21)22)18-15-17-13(9-23-15)12-6-1-2-7-16-12/h1-9H,(H,17,18,20)
InChIKeyIARBXHZGDXEQPA-UHFFFAOYSA-N
XLogP3.37
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.37
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

2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4826312
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2671468
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 3331893
3-nitro-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2303553
2-(4-nitrophenyl)sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 26203124
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
4-morpholin-4-yl-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5214969
4-tert-butyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 19181134
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4158043) is 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IARBXHZGDXEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S/c20-14(10-4-3-5-11(8-10)19(21)22)18-15-17-13(9-23-15)12-6-1-2-7-16-12/h1-9H,(H,17,18,20).
What are the key properties of 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 326.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).