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

C26H16Br2N4O2S — CID 18804498

IUPAC(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccc(Br)cc5)nn4c3=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C26H16Br2N4O2S/c1-14-2-4-15(5-3-14)13-31-20-11-10-18(28)12-19(20)21(24(31)33)22-25(34)32-26(35-22)29-23(30-32)16-6-8-17(27)9-7-16/h2-12H,13H2,1H3/b22-21-
InChIKeyZMFVKFNSDHGPRF-DQRAZIAOSA-N
MW608.32 g/mol
LogP5.12
Rot. Bonds3

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

(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18804498) has the molecular formula C26H16Br2N4O2S and a molecular weight of 608.32 g/mol. Its IUPAC name is (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18804498
Molecular FormulaC26H16Br2N4O2S
Molecular Weight608.32 g/mol
Exact Mass605.94
IUPAC Name(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccc(Br)cc5)nn4c3=O)c3cc(Br)ccc32)cc1
InChIInChI=1S/C26H16Br2N4O2S/c1-14-2-4-15(5-3-14)13-31-20-11-10-18(28)12-19(20)21(24(31)33)22-25(34)32-26(35-22)29-23(30-32)16-6-8-17(27)9-7-16/h2-12H,13H2,1H3/b22-21-
InChIKeyZMFVKFNSDHGPRF-DQRAZIAOSA-N
XLogP5.12
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.32
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Related Compounds

(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804572
(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804404
(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
(5Z)-5-[5-bromo-1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804574
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-(4-butoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804440
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804565
5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269094
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804535
2-(2-methoxyphenyl)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3847539
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
(5Z)-2-(4-bromophenyl)-5-(1-heptyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804482
5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269097

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18804498) is (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(CN2C(=O)/C(=c3\sc4nc(-c5ccc(Br)cc5)nn4c3=O)c3cc(Br)ccc32)cc1.
What is the InChIKey of (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is ZMFVKFNSDHGPRF-DQRAZIAOSA-N. The full InChI is InChI=1S/C26H16Br2N4O2S/c1-14-2-4-15(5-3-14)13-31-20-11-10-18(28)12-19(20)21(24(31)33)22-25(34)32-26(35-22)29-23(30-32)16-6-8-17(27)9-7-16/h2-12H,13H2,1H3/b22-21-.
What are the key properties of (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 608.32 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).