1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

C16H10N2O3S3 — CID 91930621

IUPAC1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2nccs2)C(c2cccs2)C1C(=O)c1cccs1
InChIInChI=1S/C16H10N2O3S3/c19-13(10-4-2-7-23-10)11-12(9-3-1-6-22-9)18(15(21)14(11)20)16-17-5-8-24-16/h1-8,11-12H
InChIKeyUROSSQCXPFRKPA-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.42
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (PubChem CID 91930621) has the molecular formula C16H10N2O3S3 and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
PubChem CID91930621
Molecular FormulaC16H10N2O3S3
Molecular Weight374.47 g/mol
Exact Mass373.99
IUPAC Name1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2nccs2)C(c2cccs2)C1C(=O)c1cccs1
InChIInChI=1S/C16H10N2O3S3/c19-13(10-4-2-7-23-10)11-12(9-3-1-6-22-9)18(15(21)14(11)20)16-17-5-8-24-16/h1-8,11-12H
InChIKeyUROSSQCXPFRKPA-UHFFFAOYSA-N
XLogP3.42
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (CID 91930621) is 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2nccs2)C(c2cccs2)C1C(=O)c1cccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The InChIKey is UROSSQCXPFRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S3/c19-13(10-4-2-7-23-10)11-12(9-3-1-6-22-9)18(15(21)14(11)20)16-17-5-8-24-16/h1-8,11-12H.
What are the key properties of 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione has a molecular weight of 374.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91930621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).