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

C15H10N4O3S — CID 5048792

IUPAC2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O3S/c20-14(11-5-1-2-6-13(11)19(21)22)18-15-17-12(9-23-15)10-4-3-7-16-8-10/h1-9H,(H,17,18,20)
InChIKeyRTGJSGMNCHEOOU-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.37
Rot. Bonds4

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

2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5048792) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5048792
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O3S/c20-14(11-5-1-2-6-13(11)19(21)22)18-15-17-12(9-23-15)10-4-3-7-16-8-10/h1-9H,(H,17,18,20)
InChIKeyRTGJSGMNCHEOOU-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 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 5048792) is 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RTGJSGMNCHEOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S/c20-14(11-5-1-2-6-13(11)19(21)22)18-15-17-12(9-23-15)10-4-3-7-16-8-10/h1-9H,(H,17,18,20).
What are the key properties of 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-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 2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5048792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).