4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

C21H25N3O5S — CID 91896319

IUPAC4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,16-17H,6-11H2,1-3H3
InChIKeyASCJKQMJZOBPAI-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.95
Rot. Bonds6

About 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (PubChem CID 91896319) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
PubChem CID91896319
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,16-17H,6-11H2,1-3H3
InChIKeyASCJKQMJZOBPAI-UHFFFAOYSA-N
XLogP1.95
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (CID 91896319) is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is Cc1ccc(C2C(C(=O)c3sc(C)nc3C)C(=O)C(=O)N2CCN2CCOCC2)o1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is ASCJKQMJZOBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-12-4-5-15(29-12)17-16(18(25)20-13(2)22-14(3)30-20)19(26)21(27)24(17)7-6-23-8-10-28-11-9-23/h4-5,16-17H,6-11H2,1-3H3.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 431.51 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91896319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).