2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C15H13N3O3S — CID 2233097

IUPAC2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O
InChIInChI=1S/C15H13N3O3S/c1-3-18-13(20)10-5-4-9(6-11(10)14(18)21)12(19)17-15-16-7-8(2)22-15/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyLJCKQGOCYMDZBZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.32
Rot. Bonds3

About 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2233097) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2233097
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O
InChIInChI=1S/C15H13N3O3S/c1-3-18-13(20)10-5-4-9(6-11(10)14(18)21)12(19)17-15-16-7-8(2)22-15/h4-7H,3H2,1-2H3,(H,16,17,19)
InChIKeyLJCKQGOCYMDZBZ-UHFFFAOYSA-N
XLogP2.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.32
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-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 2233097) is 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O.
What is the InChIKey of 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is LJCKQGOCYMDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-3-18-13(20)10-5-4-9(6-11(10)14(18)21)12(19)17-15-16-7-8(2)22-15/h4-7H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2233097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).