(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

C24H13BrClN5O2S — CID 18804574

IUPAC(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
SMILESO=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccccc1Cl
InChIInChI=1S/C24H13BrClN5O2S/c25-15-5-6-18-16(11-15)19(22(32)30(18)12-14-3-1-2-4-17(14)26)20-23(33)31-24(34-20)28-21(29-31)13-7-9-27-10-8-13/h1-11H,12H2/b20-19-
InChIKeyPDIZWYAJCQTYAR-VXPUYCOJSA-N
MW550.83 g/mol
LogP4.09
Rot. Bonds3

About (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

(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 (PubChem CID 18804574) has the molecular formula C24H13BrClN5O2S and a molecular weight of 550.83 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18804574
Molecular FormulaC24H13BrClN5O2S
Molecular Weight550.83 g/mol
Exact Mass548.97
IUPAC Name(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
SMILESO=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccccc1Cl
InChIInChI=1S/C24H13BrClN5O2S/c25-15-5-6-18-16(11-15)19(22(32)30(18)12-14-3-1-2-4-17(14)26)20-23(33)31-24(34-20)28-21(29-31)13-7-9-27-10-8-13/h1-11H,12H2/b20-19-
InChIKeyPDIZWYAJCQTYAR-VXPUYCOJSA-N
XLogP4.09
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 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
2-[5-bromo-1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4500831
(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
(5Z)-5-[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804627
(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
(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
5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3337300
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19260364
(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
(2Z)-2-[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 18804764
(2Z)-2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6527988
2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
CID 18804548

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc2N1Cc1ccccc1Cl.
What is the InChIKey of (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?
The InChIKey is PDIZWYAJCQTYAR-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H13BrClN5O2S/c25-15-5-6-18-16(11-15)19(22(32)30(18)12-14-3-1-2-4-17(14)26)20-23(33)31-24(34-20)28-21(29-31)13-7-9-27-10-8-13/h1-11H,12H2/b20-19-.
What are the key properties of (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?
(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 has a molecular weight of 550.83 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 18804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).