5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione

C23H20N4O4S — CID 24889189

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4csc(C)n4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N4O4S/c1-13-24-19(11-32-13)14-3-6-16(7-4-14)23(21(29)25-22(30)26-23)12-27-10-15-5-8-17(31-2)9-18(15)20(27)28/h3-9,11H,10,12H2,1-2H3,(H2,25,26,29,30)
InChIKeyFAMQSXIDMNSKRT-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.82
Rot. Bonds5

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 24889189) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione
PubChem CID24889189
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4csc(C)n4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N4O4S/c1-13-24-19(11-32-13)14-3-6-16(7-4-14)23(21(29)25-22(30)26-23)12-27-10-15-5-8-17(31-2)9-18(15)20(27)28/h3-9,11H,10,12H2,1-2H3,(H2,25,26,29,30)
InChIKeyFAMQSXIDMNSKRT-UHFFFAOYSA-N
XLogP2.82
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 24889189) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4csc(C)n4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is FAMQSXIDMNSKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-13-24-19(11-32-13)14-3-6-16(7-4-14)23(21(29)25-22(30)26-23)12-27-10-15-5-8-17(31-2)9-18(15)20(27)28/h3-9,11H,10,12H2,1-2H3,(H2,25,26,29,30).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 448.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24889189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).