2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C20H12ClN5O3S — CID 108763120

IUPAC2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1csc2nc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)nn12
InChIInChI=1S/C20H12ClN5O3S/c1-10-9-30-20-23-19(24-26(10)20)22-16(27)11-6-7-12-13(8-11)18(29)25(17(12)28)15-5-3-2-4-14(15)21/h2-9H,1H3,(H,22,24,27)
InChIKeyVOMWOWXFUWLCER-UHFFFAOYSA-N
MW437.87 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108763120) has the molecular formula C20H12ClN5O3S and a molecular weight of 437.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108763120
Molecular FormulaC20H12ClN5O3S
Molecular Weight437.87 g/mol
Exact Mass437.03
IUPAC Name2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1csc2nc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)nn12
InChIInChI=1S/C20H12ClN5O3S/c1-10-9-30-20-23-19(24-26(10)20)22-16(27)11-6-7-12-13(8-11)18(29)25(17(12)28)15-5-3-2-4-14(15)21/h2-9H,1H3,(H,22,24,27)
InChIKeyVOMWOWXFUWLCER-UHFFFAOYSA-N
XLogP3.81
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108751664
2-(2,5-dimethylphenyl)-1,3-dioxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)isoindole-5-carboxamide
CID 108751801
2-(2-chlorophenyl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768461
2-benzyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108751967
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2336595
2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108763094
2-(3-methoxypropyl)-1,3-dioxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)isoindole-5-carboxamide
CID 108751805
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
methyl 3-[[2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-hydroxybenzoate
CID 108768103
2-(2-chlorophenyl)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 2469388
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751632

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 108763120) is 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1csc2nc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)nn12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VOMWOWXFUWLCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5O3S/c1-10-9-30-20-23-19(24-26(10)20)22-16(27)11-6-7-12-13(8-11)18(29)25(17(12)28)15-5-3-2-4-14(15)21/h2-9H,1H3,(H,22,24,27).
What are the key properties of 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 437.87 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108763120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).