(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C18H14FN3OS — CID 155558439

IUPAC(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccc(F)cc2)sc2n1CN(c1ccccc1)CN=2
InChIInChI=1S/C18H14FN3OS/c19-14-8-6-13(7-9-14)10-16-17(23)22-12-21(11-20-18(22)24-16)15-4-2-1-3-5-15/h1-10H,11-12H2/b16-10+
InChIKeyQDWSKKPNVWFNJD-MHWRWJLKSA-N
MW339.40 g/mol
LogP1.93
Rot. Bonds2

About (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 155558439) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID155558439
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccc(F)cc2)sc2n1CN(c1ccccc1)CN=2
InChIInChI=1S/C18H14FN3OS/c19-14-8-6-13(7-9-14)10-16-17(23)22-12-21(11-20-18(22)24-16)15-4-2-1-3-5-15/h1-10H,11-12H2/b16-10+
InChIKeyQDWSKKPNVWFNJD-MHWRWJLKSA-N
XLogP1.93
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-m-Tolyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1387917
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(7Z)-7-benzylidene-3-(4-ethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1888918
(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 794768
(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1317938
(7E)-7-[(4-chlorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1886260
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004521
(Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236806
(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 54583721
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70682391

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 155558439) is (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=c1/c(=C\c2ccc(F)cc2)sc2n1CN(c1ccccc1)CN=2.
What is the InChIKey of (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is QDWSKKPNVWFNJD-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-14-8-6-13(7-9-14)10-16-17(23)22-12-21(11-20-18(22)24-16)15-4-2-1-3-5-15/h1-10H,11-12H2/b16-10+.
What are the key properties of (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 339.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 155558439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).