5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H9Cl2N3O3S — CID 3444198

IUPAC5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H9Cl2N3O3S/c20-12-4-1-3-11(16(12)21)13-7-6-10(27-13)9-15-18(25)24-19(28-15)22-17(23-24)14-5-2-8-26-14/h1-9H
InChIKeyOGNINANHVMSDII-UHFFFAOYSA-N
MW430.27 g/mol
LogP4.53
Rot. Bonds3

About 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3444198) has the molecular formula C19H9Cl2N3O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3444198
Molecular FormulaC19H9Cl2N3O3S
Molecular Weight430.27 g/mol
Exact Mass428.97
IUPAC Name5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H9Cl2N3O3S/c20-12-4-1-3-11(16(12)21)13-7-6-10(27-13)9-15-18(25)24-19(28-15)22-17(23-24)14-5-2-8-26-14/h1-9H
InChIKeyOGNINANHVMSDII-UHFFFAOYSA-N
XLogP4.53
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4704694
2-(furan-2-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269015
5-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269018
(5Z)-2-(4-butoxyphenyl)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34313295
(5Z)-2-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2001481
acetic acid;(5Z)-2-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 45125892
(5E)-5-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143644
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143643
(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6318421
5-[[4-(dimethylamino)phenyl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4521632
(5Z)-2-(furan-2-yl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143467
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6257668

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3444198) is 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1c(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is OGNINANHVMSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2N3O3S/c20-12-4-1-3-11(16(12)21)13-7-6-10(27-13)9-15-18(25)24-19(28-15)22-17(23-24)14-5-2-8-26-14/h1-9H.
What are the key properties of 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 430.27 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3444198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).