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

C26H18N4O2S — CID 18804279

IUPAC(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccccc5)nn4c3=O)c3ccccc32)cc1
InChIInChI=1S/C26H18N4O2S/c1-16-11-13-17(14-12-16)15-29-20-10-6-5-9-19(20)21(24(29)31)22-25(32)30-26(33-22)27-23(28-30)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b22-21-
InChIKeyPOYAQPMKOYLAHA-DQRAZIAOSA-N
MW450.52 g/mol
LogP3.59
Rot. Bonds3

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

(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18804279) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18804279
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccccc5)nn4c3=O)c3ccccc32)cc1
InChIInChI=1S/C26H18N4O2S/c1-16-11-13-17(14-12-16)15-29-20-10-6-5-9-19(20)21(24(29)31)22-25(32)30-26(33-22)27-23(28-30)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b22-21-
InChIKeyPOYAQPMKOYLAHA-DQRAZIAOSA-N
XLogP3.59
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18804279) is (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccccc5)nn4c3=O)c3ccccc32)cc1.
What is the InChIKey of (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is POYAQPMKOYLAHA-DQRAZIAOSA-N. The full InChI is InChI=1S/C26H18N4O2S/c1-16-11-13-17(14-12-16)15-29-20-10-6-5-9-19(20)21(24(29)31)22-25(32)30-26(33-22)27-23(28-30)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b22-21-.
What are the key properties of (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 450.52 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18804279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).