(5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C27H19N5O3S — CID 6516472

About (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6516472) has the molecular formula C27H19N5O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

• Compound Name: (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• PubChem CID: 6516472
• Molecular Formula: C27H19N5O3S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.12
• IUPAC Name: (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• SMILES: CC1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccco5)nn4c3=O)ccc2O1
• InChI: InChI=1S/C27H19N5O3S/c1-16-12-18-13-17(9-10-21(18)35-16)24-19(15-31(29-24)20-6-3-2-4-7-20)14-23-26(33)32-27(36-23)28-25(30-32)22-8-5-11-34-22/h2-11,13-16H,12H2,1H3/b23-14-
• InChIKey: FVAGLDLGIGUJCZ-UCQKPKSFSA-N
• XLogP: 4.13
• TPSA: 87.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The IUPAC name of (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6516472) is (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

What is the SMILES notation for (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The canonical SMILES for (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccco5)nn4c3=O)ccc2O1.

What is the InChIKey of (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

The InChIKey is FVAGLDLGIGUJCZ-UCQKPKSFSA-N. The full InChI is InChI=1S/C27H19N5O3S/c1-16-12-18-13-17(9-10-21(18)35-16)24-19(15-31(29-24)20-6-3-2-4-7-20)14-23-26(33)32-27(36-23)28-25(30-32)22-8-5-11-34-22/h2-11,13-16H,12H2,1H3/b23-14-.

What are the key properties of (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?

(5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 493.55 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(furan-2-yl)-5-[[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6516472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).