(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one

C24H16FN3OS — CID 7357706

IUPAC(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
SMILESO=c1/c(=C\c2ccc(F)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2
InChIInChI=1S/C24H16FN3OS/c25-19-13-11-16(12-14-19)15-20-23(29)28-22(18-9-5-2-6-10-18)21(26-27-24(28)30-20)17-7-3-1-4-8-17/h1-15,22H/b20-15+/t22-/m1/s1
InChIKeyCTIJMAOYFUREBS-GFCAVMEOSA-N
MW413.48 g/mol
LogP3.50
Rot. Bonds3

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

(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one (PubChem CID 7357706) has the molecular formula C24H16FN3OS and a molecular weight of 413.48 g/mol. Its IUPAC name is (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one.

Molecular Properties

Compound Name(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
PubChem CID7357706
Molecular FormulaC24H16FN3OS
Molecular Weight413.48 g/mol
Exact Mass413.10
IUPAC Name(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
SMILESO=c1/c(=C\c2ccc(F)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2
InChIInChI=1S/C24H16FN3OS/c25-19-13-11-16(12-14-19)15-20-23(29)28-22(18-9-5-2-6-10-18)21(26-27-24(28)30-20)17-7-3-1-4-8-17/h1-15,22H/b20-15+/t22-/m1/s1
InChIKeyCTIJMAOYFUREBS-GFCAVMEOSA-N
XLogP3.50
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(7Z)-7-[(4-nitrophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
CID 5291739
(2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5345512
ethyl 2-[(4-bromophenyl)methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3551934
ethyl (2Z,5R)-2-[(4-fluorophenyl)methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126007799
ethyl (2Z,5R)-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124557220
ethyl (2Z)-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21207545
ethyl (2Z,5S)-2-benzylidene-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2246708
ethyl (5S)-5-(4-fluorophenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129444042
ethyl (5S)-2-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129442466
ethyl (2E,5S)-5-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98094019
(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
CID 12865776

Frequently Asked Questions

What is the IUPAC name of (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The IUPAC name of (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one (CID 7357706) is (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one.
What is the SMILES notation for (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The canonical SMILES for (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one is O=c1/c(=C\c2ccc(F)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2.
What is the InChIKey of (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
The InChIKey is CTIJMAOYFUREBS-GFCAVMEOSA-N. The full InChI is InChI=1S/C24H16FN3OS/c25-19-13-11-16(12-14-19)15-20-23(29)28-22(18-9-5-2-6-10-18)21(26-27-24(28)30-20)17-7-3-1-4-8-17/h1-15,22H/b20-15+/t22-/m1/s1.
What are the key properties of (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one?
(4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one has a molecular weight of 413.48 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7E)-7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one is sourced from PubChem (CID 7357706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).