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

C15H13N3O3S — CID 888554

IUPAC1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C15H13N3O3S/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/h3-5,7-8H,2,6H2,1H3,(H,16,17,19)
InChIKeyHBAWQHXELJEHHK-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.40
Rot. Bonds4

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

1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (PubChem CID 888554) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
PubChem CID888554
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
InChIInChI=1S/C15H13N3O3S/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/h3-5,7-8H,2,6H2,1H3,(H,16,17,19)
InChIKeyHBAWQHXELJEHHK-UHFFFAOYSA-N
XLogP2.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 700307
1,3-Dioxo-2-thiazol-2-yl-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 747663
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
2-(3-fluorophenyl)-2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168278413
2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 168288146
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 2233097

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CID 888554) is 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O.
What is the InChIKey of 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The InChIKey is HBAWQHXELJEHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/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/h3-5,7-8H,2,6H2,1H3,(H,16,17,19).
What are the key properties of 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-propyl-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is sourced from PubChem (CID 888554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).