2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide

C16H13N5O3S — CID 108763094

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
SMILESCc1csc2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn12
InChIInChI=1S/C16H13N5O3S/c1-8-7-25-16-18-15(19-21(8)16)17-12(22)9(2)20-13(23)10-5-3-4-6-11(10)14(20)24/h3-7,9H,1-2H3,(H,17,19,22)
InChIKeyQUNFSXZSAIMJNL-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.72
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide (PubChem CID 108763094) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
PubChem CID108763094
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
SMILESCc1csc2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn12
InChIInChI=1S/C16H13N5O3S/c1-8-7-25-16-18-15(19-21(8)16)17-12(22)9(2)20-13(23)10-5-3-4-6-11(10)14(20)24/h3-7,9H,1-2H3,(H,17,19,22)
InChIKeyQUNFSXZSAIMJNL-UHFFFAOYSA-N
XLogP1.72
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.72
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

(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 92717081
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764859
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
ethyl 2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 3659980
ethyl 2-[2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180864
ethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51146422
2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 51149975
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 46513636
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
2,2,2-trifluoro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108763051

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide (CID 108763094) is 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide is Cc1csc2nc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)nn12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The InChIKey is QUNFSXZSAIMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c1-8-7-25-16-18-15(19-21(8)16)17-12(22)9(2)20-13(23)10-5-3-4-6-11(10)14(20)24/h3-7,9H,1-2H3,(H,17,19,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide has a molecular weight of 355.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide is sourced from PubChem (CID 108763094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).