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

C19H9Cl2N3O3S — CID 4704694

IUPAC5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H9Cl2N3O3S/c20-11-6-10(7-12(21)8-11)14-4-3-13(27-14)9-16-18(25)24-19(28-16)22-17(23-24)15-2-1-5-26-15/h1-9H
InChIKeyBOJUIDWAZXCTHY-UHFFFAOYSA-N
MW430.27 g/mol
LogP4.53
Rot. Bonds3

About 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

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 (PubChem CID 4704694) has the molecular formula C19H9Cl2N3O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID4704694
Molecular FormulaC19H9Cl2N3O3S
Molecular Weight430.27 g/mol
Exact Mass428.97
IUPAC Name5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H9Cl2N3O3S/c20-11-6-10(7-12(21)8-11)14-4-3-13(27-14)9-16-18(25)24-19(28-16)22-17(23-24)15-2-1-5-26-15/h1-9H
InChIKeyBOJUIDWAZXCTHY-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-(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
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
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
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-bromophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527397
2-(3-chlorophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3319606
(5Z)-2-(3-chlorophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1423923
(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
(5Z)-2-(4-tert-butylphenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124973
(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
(5Z)-2-(2,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527394
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124880

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccco3)nn12.
What is the InChIKey of 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?
The InChIKey is BOJUIDWAZXCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2N3O3S/c20-11-6-10(7-12(21)8-11)14-4-3-13(27-14)9-16-18(25)24-19(28-16)22-17(23-24)15-2-1-5-26-15/h1-9H.
What are the key properties of 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?
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 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-(3,5-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 4704694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).