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

C15H10N4O3S — CID 4877774

IUPAC4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3S/c20-14(10-3-5-12(6-4-10)19(21)22)18-15-17-13(9-23-15)11-2-1-7-16-8-11/h1-9H,(H,17,18,20)
InChIKeyAYILNDYELYINSZ-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.37
Rot. Bonds4

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

4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4877774) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4877774
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3S/c20-14(10-3-5-12(6-4-10)19(21)22)18-15-17-13(9-23-15)11-2-1-7-16-8-11/h1-9H,(H,17,18,20)
InChIKeyAYILNDYELYINSZ-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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 4877774) is 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AYILNDYELYINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S/c20-14(10-3-5-12(6-4-10)19(21)22)18-15-17-13(9-23-15)11-2-1-7-16-8-11/h1-9H,(H,17,18,20).
What are the key properties of 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
4-nitro-N-(4-pyridin-3-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 4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4877774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).