5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C26H17FN4O2S — CID 3722938

IUPAC5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1cccc(-c2nc3sc(=C4C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)n3n2)c1
InChIInChI=1S/C26H17FN4O2S/c1-15-5-4-6-17(13-15)23-28-26-31(29-23)25(33)22(34-26)21-19-7-2-3-8-20(19)30(24(21)32)14-16-9-11-18(27)12-10-16/h2-13H,14H2,1H3
InChIKeyRUQSVZIQYAJVOW-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.73
Rot. Bonds3

About 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3722938) has the molecular formula C26H17FN4O2S and a molecular weight of 468.51 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3722938
Molecular FormulaC26H17FN4O2S
Molecular Weight468.51 g/mol
Exact Mass468.11
IUPAC Name5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1cccc(-c2nc3sc(=C4C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)n3n2)c1
InChIInChI=1S/C26H17FN4O2S/c1-15-5-4-6-17(13-15)23-28-26-31(29-23)25(33)22(34-26)21-19-7-2-3-8-20(19)30(24(21)32)14-16-9-11-18(27)12-10-16/h2-13H,14H2,1H3
InChIKeyRUQSVZIQYAJVOW-UHFFFAOYSA-N
XLogP3.73
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3722938) is 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1cccc(-c2nc3sc(=C4C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)n3n2)c1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is RUQSVZIQYAJVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O2S/c1-15-5-4-6-17(13-15)23-28-26-31(29-23)25(33)22(34-26)21-19-7-2-3-8-20(19)30(24(21)32)14-16-9-11-18(27)12-10-16/h2-13H,14H2,1H3.
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 468.51 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3722938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).