N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide

C15H15N3O3S — CID 2232829

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O
InChIInChI=1S/C15H15N3O3S/c1-2-6-18-13(20)10-4-3-9(8-11(10)14(18)21)12(19)17-15-16-5-7-22-15/h3-4,8H,2,5-7H2,1H3,(H,16,17,19)
InChIKeyUFONKXUIHYNKHT-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.53
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 2232829) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID2232829
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O
InChIInChI=1S/C15H15N3O3S/c1-2-6-18-13(20)10-4-3-9(8-11(10)14(18)21)12(19)17-15-16-5-7-22-15/h3-4,8H,2,5-7H2,1H3,(H,16,17,19)
InChIKeyUFONKXUIHYNKHT-UHFFFAOYSA-N
XLogP1.53
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.53
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 N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 2232829) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is UFONKXUIHYNKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-6-18-13(20)10-4-3-9(8-11(10)14(18)21)12(19)17-15-16-5-7-22-15/h3-4,8H,2,5-7H2,1H3,(H,16,17,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 2232829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).