(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C22H16Cl3N3O2S — CID 34315172

About (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 34315172) has the molecular formula C22H16Cl3N3O2S and a molecular weight of 492.82 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 34315172
• Molecular Formula: C22H16Cl3N3O2S
• Molecular Weight: 492.82 g/mol
• Exact Mass: 491.00
• IUPAC Name: (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1
• InChI: InChI=1S/C22H16Cl3N3O2S/c1-22(2)13(10-17(24)25)18(22)19-26-21-28(27-19)20(29)16(31-21)9-11-7-8-15(30-11)12-5-3-4-6-14(12)23/h3-10,13,18H,1-2H3/b16-9+/t13-,18-/m1/s1
• InChIKey: APSJIGFGOJKHMM-DPJWLOPSSA-N
• XLogP: 5.67
• TPSA: 60.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.82
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 34315172) is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

What is the SMILES notation for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1.

What is the InChIKey of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is APSJIGFGOJKHMM-DPJWLOPSSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2S/c1-22(2)13(10-17(24)25)18(22)19-26-21-28(27-19)20(29)16(31-21)9-11-7-8-15(30-11)12-5-3-4-6-14(12)23/h3-10,13,18H,1-2H3/b16-9+/t13-,18-/m1/s1.

What are the key properties of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 492.82 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 34315172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).