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

C19H12N4O3S — CID 7141326

IUPAC3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O3S/c24-17(12-4-2-7-15(11-12)23(25)26)21-14-6-1-5-13(10-14)18-22-16-8-3-9-20-19(16)27-18/h1-11H,(H,21,24)
InChIKeyGUSFTFCQAFBVAC-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.52
Rot. Bonds4

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

3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 7141326) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID7141326
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC Name3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O3S/c24-17(12-4-2-7-15(11-12)23(25)26)21-14-6-1-5-13(10-14)18-22-16-8-3-9-20-19(16)27-18/h1-11H,(H,21,24)
InChIKeyGUSFTFCQAFBVAC-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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-nitrobenzamide
CID 112771297
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
3-methyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
CID 5234322
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3106201
2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 7141326) is 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is GUSFTFCQAFBVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c24-17(12-4-2-7-15(11-12)23(25)26)21-14-6-1-5-13(10-14)18-22-16-8-3-9-20-19(16)27-18/h1-11H,(H,21,24).
What are the key properties of 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
3-nitro-N-[3-([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 3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7141326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).