(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C18H14ClN3OS — CID 1317938

IUPAC(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccccc2)sc2n1CN(c1ccc(Cl)cc1)CN=2
InChIInChI=1S/C18H14ClN3OS/c19-14-6-8-15(9-7-14)21-11-20-18-22(12-21)17(23)16(24-18)10-13-4-2-1-3-5-13/h1-10H,11-12H2/b16-10+
InChIKeyUSGWQXMAFLESPV-MHWRWJLKSA-N
MW355.85 g/mol
LogP2.45
Rot. Bonds2

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

(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1317938) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1317938
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccccc2)sc2n1CN(c1ccc(Cl)cc1)CN=2
InChIInChI=1S/C18H14ClN3OS/c19-14-6-8-15(9-7-14)21-11-20-18-22(12-21)17(23)16(24-18)10-13-4-2-1-3-5-13/h1-10H,11-12H2/b16-10+
InChIKeyUSGWQXMAFLESPV-MHWRWJLKSA-N
XLogP2.45
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
(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-[(4-chlorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1886260
5-(4-Chlorobenzylidene)-2-{[4-(dimethylamino)phenyl]imino}-1,3-thiazolidin-4-one
CID 135971380
(7E)-3-(4-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155519484
(7E)-3-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155542372
(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155565358
(7E)-7-[(2-chlorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155565523
3-(3-chlorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1241428
(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1887699

Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1317938) is (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=c1/c(=C\c2ccccc2)sc2n1CN(c1ccc(Cl)cc1)CN=2.
What is the InChIKey of (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is USGWQXMAFLESPV-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-6-8-15(9-7-14)21-11-20-18-22(12-21)17(23)16(24-18)10-13-4-2-1-3-5-13/h1-10H,11-12H2/b16-10+.
What are the key properties of (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 355.85 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-3-(4-chlorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1317938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).