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

C19H19N5O3S — CID 108751632

IUPACN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1sc2nc(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)nn2c1C
InChIInChI=1S/C19H19N5O3S/c1-9(2)8-23-16(26)13-6-5-12(7-14(13)17(23)27)15(25)20-18-21-19-24(22-18)10(3)11(4)28-19/h5-7,9H,8H2,1-4H3,(H,20,22,25)
InChIKeyYVCPRXSCWGRHEK-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.91
Rot. Bonds4

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

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108751632) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108751632
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1sc2nc(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)nn2c1C
InChIInChI=1S/C19H19N5O3S/c1-9(2)8-23-16(26)13-6-5-12(7-14(13)17(23)27)15(25)20-18-21-19-24(22-18)10(3)11(4)28-19/h5-7,9H,8H2,1-4H3,(H,20,22,25)
InChIKeyYVCPRXSCWGRHEK-UHFFFAOYSA-N
XLogP2.91
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 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) is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is Cc1sc2nc(NC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)nn2c1C.
What is the InChIKey of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is YVCPRXSCWGRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-9(2)8-23-16(26)13-6-5-12(7-14(13)17(23)27)15(25)20-18-21-19-24(22-18)10(3)11(4)28-19/h5-7,9H,8H2,1-4H3,(H,20,22,25).
What are the key properties of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108751632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).