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

C19H15N5O5S2 — CID 19256131

IUPAC2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=c2\sc3ncnn3c2=O)cc1
InChIInChI=1S/C19H15N5O5S2/c20-31(27,28)14-7-5-13(6-8-14)23-17(25)10-29-15-4-2-1-3-12(15)9-16-18(26)24-19(30-16)21-11-22-24/h1-9,11H,10H2,(H,23,25)(H2,20,27,28)/b16-9-
InChIKeyRUBPIJUAPZBXCJ-SXGWCWSVSA-N
MW457.49 g/mol
LogP0.36
Rot. Bonds6

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

2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 19256131) has the molecular formula C19H15N5O5S2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID19256131
Molecular FormulaC19H15N5O5S2
Molecular Weight457.49 g/mol
Exact Mass457.05
IUPAC Name2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=c2\sc3ncnn3c2=O)cc1
InChIInChI=1S/C19H15N5O5S2/c20-31(27,28)14-7-5-13(6-8-14)23-17(25)10-29-15-4-2-1-3-12(15)9-16-18(26)24-19(30-16)21-11-22-24/h1-9,11H,10H2,(H,23,25)(H2,20,27,28)/b16-9-
InChIKeyRUBPIJUAPZBXCJ-SXGWCWSVSA-N
XLogP0.36
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
(5Z)-5-[(2-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2189080
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16634206
2-[[(5Z)-4-oxo-5-[[2-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]acetic acid
CID 135844816
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-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
ethyl (2Z)-2-[[2-(2-anilino-2-oxoethoxy)phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 19580110
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-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16627911
2-[2-[(Z)-[(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 16628557
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 19256131) is 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=c2\sc3ncnn3c2=O)cc1.
What is the InChIKey of 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is RUBPIJUAPZBXCJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H15N5O5S2/c20-31(27,28)14-7-5-13(6-8-14)23-17(25)10-29-15-4-2-1-3-12(15)9-16-18(26)24-19(30-16)21-11-22-24/h1-9,11H,10H2,(H,23,25)(H2,20,27,28)/b16-9-.
What are the key properties of 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 457.49 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 19256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).