2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide

C24H15BrClN5O3S — CID 19256305

IUPAC2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H15BrClN5O3S/c25-16-1-6-19(34-13-21(32)28-18-4-2-17(26)3-5-18)15(11-16)12-20-23(33)31-24(35-20)29-22(30-31)14-7-9-27-10-8-14/h1-12H,13H2,(H,28,32)/b20-12-
InChIKeyJKXBTJOEAGQDKE-NDENLUEZSA-N
MW568.84 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide

2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 19256305) has the molecular formula C24H15BrClN5O3S and a molecular weight of 568.84 g/mol. Its IUPAC name is 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID19256305
Molecular FormulaC24H15BrClN5O3S
Molecular Weight568.84 g/mol
Exact Mass566.98
IUPAC Name2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H15BrClN5O3S/c25-16-1-6-19(34-13-21(32)28-18-4-2-17(26)3-5-18)15(11-16)12-20-23(33)31-24(35-20)29-22(30-31)14-7-9-27-10-8-14/h1-12H,13H2,(H,28,32)/b20-12-
InChIKeyJKXBTJOEAGQDKE-NDENLUEZSA-N
XLogP4.19
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide with MolForge

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Related Compounds

2-[4-bromo-2-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19256332
2-[4-chloro-2-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 19256327
2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 19256138
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5207569
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3743345
N-[[(5Z)-5-[[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 136911730
N-[(E)-[5-[[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 137216652
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269134
4-bromo-N-[(E)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126263330
[2-ethoxy-4-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 6523173
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3762610

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide (CID 19256305) is 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide is O=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is JKXBTJOEAGQDKE-NDENLUEZSA-N. The full InChI is InChI=1S/C24H15BrClN5O3S/c25-16-1-6-19(34-13-21(32)28-18-4-2-17(26)3-5-18)15(11-16)12-20-23(33)31-24(35-20)29-22(30-31)14-7-9-27-10-8-14/h1-12H,13H2,(H,28,32)/b20-12-.
What are the key properties of 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 568.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 19256305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).