(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one

C24H16N4O3S — CID 5291739

IUPAC(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
SMILESO=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1C(c1ccccc1)C(c1ccccc1)=NN=2
InChIInChI=1S/C24H16N4O3S/c29-23-20(15-16-11-13-19(14-12-16)28(30)31)32-24-26-25-21(17-7-3-1-4-8-17)22(27(23)24)18-9-5-2-6-10-18/h1-15,22H/b20-15-
InChIKeyOYXBIPVIGMLNOH-HKWRFOASSA-N
MW440.48 g/mol
LogP3.27
Rot. Bonds4

About (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one

(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one (PubChem CID 5291739) has the molecular formula C24H16N4O3S and a molecular weight of 440.48 g/mol. Its IUPAC name is (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one.

Molecular Properties

Compound Name(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
PubChem CID5291739
Molecular FormulaC24H16N4O3S
Molecular Weight440.48 g/mol
Exact Mass440.09
IUPAC Name(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
SMILESO=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1C(c1ccccc1)C(c1ccccc1)=NN=2
InChIInChI=1S/C24H16N4O3S/c29-23-20(15-16-11-13-19(14-12-16)28(30)31)32-24-26-25-21(17-7-3-1-4-8-17)22(27(23)24)18-9-5-2-6-10-18/h1-15,22H/b20-15-
InChIKeyOYXBIPVIGMLNOH-HKWRFOASSA-N
XLogP3.27
TPSA89.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

4-[(E)-[(4S)-6-oxo-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-7-ylidene]methyl]benzaldehyde
CID 40891116
(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
CID 7357706
(2E,5S)-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6341900
prop-2-enyl (5S)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129432254
(2E,5S)-7-methyl-5-(4-methylphenyl)-2-[(4-nitrophenyl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793192
methyl (2Z,5R)-7-methyl-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124553314
2-[(Z)-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-4-nitrophenolate
CID 2140231
methyl (2Z)-5-(4-chlorophenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21235768
methyl (2Z,5S)-2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124545324
14-[(4-fluorophenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 23944695
(5E)-5-benzylidene-2-(3-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10521811
ethyl (2Z,5S)-5-(4-fluorophenyl)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124586583

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The IUPAC name of (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one (CID 5291739) is (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one.
What is the SMILES notation for (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The canonical SMILES for (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one is O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1C(c1ccccc1)C(c1ccccc1)=NN=2.
What is the InChIKey of (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The InChIKey is OYXBIPVIGMLNOH-HKWRFOASSA-N. The full InChI is InChI=1S/C24H16N4O3S/c29-23-20(15-16-11-13-19(14-12-16)28(30)31)32-24-26-25-21(17-7-3-1-4-8-17)22(27(23)24)18-9-5-2-6-10-18/h1-15,22H/b20-15-.
What are the key properties of (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one has a molecular weight of 440.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one is sourced from PubChem (CID 5291739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).