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

C23H13FN4O2S2 — CID 18804579

IUPAC(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C23H13FN4O2S2/c24-14-9-7-13(8-10-14)12-27-16-5-2-1-4-15(16)18(21(27)29)19-22(30)28-23(32-19)25-20(26-28)17-6-3-11-31-17/h1-11H,12H2/b19-18-
InChIKeyZYINZAACBJBXTA-HNENSFHCSA-N
MW460.52 g/mol
LogP3.48
Rot. Bonds3

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

(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18804579) has the molecular formula C23H13FN4O2S2 and a molecular weight of 460.52 g/mol. Its IUPAC name is (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18804579
Molecular FormulaC23H13FN4O2S2
Molecular Weight460.52 g/mol
Exact Mass460.05
IUPAC Name(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=C1/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C23H13FN4O2S2/c24-14-9-7-13(8-10-14)12-27-16-5-2-1-4-15(16)18(21(27)29)19-22(30)28-23(32-19)25-20(26-28)17-6-3-11-31-17/h1-11H,12H2/b19-18-
InChIKeyZYINZAACBJBXTA-HNENSFHCSA-N
XLogP3.48
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18804579) is (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=C1/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc2N1Cc1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is ZYINZAACBJBXTA-HNENSFHCSA-N. The full InChI is InChI=1S/C23H13FN4O2S2/c24-14-9-7-13(8-10-14)12-27-16-5-2-1-4-15(16)18(21(27)29)19-22(30)28-23(32-19)25-20(26-28)17-6-3-11-31-17/h1-11H,12H2/b19-18-.
What are the key properties of (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 460.52 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18804579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).