2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

C16H15N3O3S — CID 700307

IUPAC2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C16H15N3O3S/c1-9(2)8-19-14(21)11-4-3-10(7-12(11)15(19)22)13(20)18-16-17-5-6-23-16/h3-7,9H,8H2,1-2H3,(H,17,18,20)
InChIKeyGQNGIQUHBDDNMN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide

2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 700307) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID700307
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C16H15N3O3S/c1-9(2)8-19-14(21)11-4-3-10(7-12(11)15(19)22)13(20)18-16-17-5-6-23-16/h3-7,9H,8H2,1-2H3,(H,17,18,20)
InChIKeyGQNGIQUHBDDNMN-UHFFFAOYSA-N
XLogP2.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 700307) is 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is GQNGIQUHBDDNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9(2)8-19-14(21)11-4-3-10(7-12(11)15(19)22)13(20)18-16-17-5-6-23-16/h3-7,9H,8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).