(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one

C18H13ClFN3OS — CID 51700449

IUPAC(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)N=C2SCN(c3ccc(F)cc3)CN12
InChIInChI=1S/C18H13ClFN3OS/c19-13-3-1-12(2-4-13)9-16-17(24)23-10-22(11-25-18(23)21-16)15-7-5-14(20)6-8-15/h1-9H,10-11H2/b16-9-
InChIKeyPSAHYQFZDDLWCI-SXGWCWSVSA-N
MW373.84 g/mol
LogP4.19
Rot. Bonds2

About (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one

(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one (PubChem CID 51700449) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one.

Molecular Properties

Compound Name(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
PubChem CID51700449
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)N=C2SCN(c3ccc(F)cc3)CN12
InChIInChI=1S/C18H13ClFN3OS/c19-13-3-1-12(2-4-13)9-16-17(24)23-10-22(11-25-18(23)21-16)15-7-5-14(20)6-8-15/h1-9H,10-11H2/b16-9-
InChIKeyPSAHYQFZDDLWCI-SXGWCWSVSA-N
XLogP4.19
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
(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
(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
(7E)-7-[(2,4-dichlorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155512686
(7E)-7-[(4-fluorophenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155558439
(7Z)-7-(4-chlorobenzylidene)-3-phenyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1886259
(4E)-1-(3-Chloro-4-fluorophenyl)-2-(methylsulfanyl)-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 46246781
5-[(6-Chloro-2-fluorophenyl)methylene]-2-(4-phenylpiperazinyl)-1,3-thiazolin-4-one
CID 6200826

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The IUPAC name of (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one (CID 51700449) is (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one.
What is the SMILES notation for (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The canonical SMILES for (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one is O=C1/C(=C/c2ccc(Cl)cc2)N=C2SCN(c3ccc(F)cc3)CN12.
What is the InChIKey of (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The InChIKey is PSAHYQFZDDLWCI-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c19-13-3-1-12(2-4-13)9-16-17(24)23-10-22(11-25-18(23)21-16)15-7-5-14(20)6-8-15/h1-9H,10-11H2/b16-9-.
What are the key properties of (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
(7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one has a molecular weight of 373.84 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one is sourced from PubChem (CID 51700449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).