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

C18H12Cl3N3OS — CID 155565358

IUPAC(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccc(Cl)cc2Cl)sc2n1CN(c1ccc(Cl)cc1)CN=2
InChIInChI=1S/C18H12Cl3N3OS/c19-12-3-5-14(6-4-12)23-9-22-18-24(10-23)17(25)16(26-18)7-11-1-2-13(20)8-15(11)21/h1-8H,9-10H2/b16-7+
InChIKeyBHYMUWONDQVUGQ-FRKPEAEDSA-N
MW424.74 g/mol
LogP3.75
Rot. Bonds2

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

(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 155565358) has the molecular formula C18H12Cl3N3OS and a molecular weight of 424.74 g/mol. Its IUPAC name is (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID155565358
Molecular FormulaC18H12Cl3N3OS
Molecular Weight424.74 g/mol
Exact Mass422.98
IUPAC Name(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=c1/c(=C\c2ccc(Cl)cc2Cl)sc2n1CN(c1ccc(Cl)cc1)CN=2
InChIInChI=1S/C18H12Cl3N3OS/c19-12-3-5-14(6-4-12)23-9-22-18-24(10-23)17(25)16(26-18)7-11-1-2-13(20)8-15(11)21/h1-8H,9-10H2/b16-7+
InChIKeyBHYMUWONDQVUGQ-FRKPEAEDSA-N
XLogP3.75
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (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) is (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2n1CN(c1ccc(Cl)cc1)CN=2.
What is the InChIKey of (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is BHYMUWONDQVUGQ-FRKPEAEDSA-N. The full InChI is InChI=1S/C18H12Cl3N3OS/c19-12-3-5-14(6-4-12)23-9-22-18-24(10-23)17(25)16(26-18)7-11-1-2-13(20)8-15(11)21/h1-8H,9-10H2/b16-7+.
What are the key properties of (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 424.74 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 155565358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).