2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

C19H12N4O3S — CID 7141317

IUPAC2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H12N4O3S/c24-17(14-4-1-2-6-16(14)23(25)26)21-13-9-7-12(8-10-13)18-22-15-5-3-11-20-19(15)27-18/h1-11H,(H,21,24)
InChIKeyXUEHJMVZXDNTDZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.52
Rot. Bonds4

About 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 7141317) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID7141317
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC Name2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H12N4O3S/c24-17(14-4-1-2-6-16(14)23(25)26)21-13-9-7-12(8-10-13)18-22-15-5-3-11-20-19(15)27-18/h1-11H,(H,21,24)
InChIKeyXUEHJMVZXDNTDZ-UHFFFAOYSA-N
XLogP4.52
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.52
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

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 121024439
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121024443
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141326
(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024334
6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 40998777
2-fluoro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
CID 151332442

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 7141317) is 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is XUEHJMVZXDNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c24-17(14-4-1-2-6-16(14)23(25)26)21-13-9-7-12(8-10-13)18-22-15-5-3-11-20-19(15)27-18/h1-11H,(H,21,24).
What are the key properties of 2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 4.52, 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-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7141317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).