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

C19H17N3O2S — CID 1384783

IUPAC(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2/sc3n(c2=O)CN(c2ccccc2)CN=3)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-9-7-14(8-10-16)11-17-18(23)22-13-21(12-20-19(22)25-17)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyYKWLHYZTMXINMV-GZTJUZNOSA-N
MW351.43 g/mol
LogP1.80
Rot. Bonds3

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

(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1384783) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (7E)-7-[(4-methoxyphenyl)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-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1384783
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2/sc3n(c2=O)CN(c2ccccc2)CN=3)cc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-9-7-14(8-10-16)11-17-18(23)22-13-21(12-20-19(22)25-17)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+
InChIKeyYKWLHYZTMXINMV-GZTJUZNOSA-N
XLogP1.80
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1842471
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
(5Z)-5-benzylidene-2-(ethylthio)-3-(4-methoxyphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 5850032
(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1311270
3-(4-Methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
CID 1389352
3-(4-methoxyphenyl)-7-(phenylmethylene)-2H,4H-1,3-thiazolidino[3,2-e]1,3,5-tri azin-6-one
CID 1605277
2-(diethylamino)-5-(4-methoxybenzylidene)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 8185635
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(4-methoxyphenyl)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-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1384783) is (7E)-7-[(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is COc1ccc(/C=c2/sc3n(c2=O)CN(c2ccccc2)CN=3)cc1.
What is the InChIKey of (7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is YKWLHYZTMXINMV-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-9-7-14(8-10-16)11-17-18(23)22-13-21(12-20-19(22)25-17)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3/b17-11+.
What are the key properties of (7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 351.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1384783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).