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

C29H25N5O3S — CID 118927804

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

(5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 118927804) has the molecular formula C29H25N5O3S and a molecular weight of 523.62 g/mol. Its IUPAC name is (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 118927804
• Molecular Formula: C29H25N5O3S
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.17
• IUPAC Name: (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: C=C1c2cc(OC)ccc2CN1C[C@]1(c2ccc(-c3ccc(-c4csc(N)n4)cc3)cc2)NC(=O)NC1=O
• InChI: InChI=1S/C29H25N5O3S/c1-17-24-13-23(37-2)12-9-21(24)14-34(17)16-29(26(35)32-28(36)33-29)22-10-7-19(8-11-22)18-3-5-20(6-4-18)25-15-38-27(30)31-25/h3-13,15H,1,14,16H2,2H3,(H2,30,31)(H2,32,33,35,36)/t29-/m1/s1
• InChIKey: RAQUGHAVQABUSG-GDLZYMKVSA-N
• XLogP: 4.59
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 118927804) is (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is C=C1c2cc(OC)ccc2CN1C[C@]1(c2ccc(-c3ccc(-c4csc(N)n4)cc3)cc2)NC(=O)NC1=O.

What is the InChIKey of (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is RAQUGHAVQABUSG-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H25N5O3S/c1-17-24-13-23(37-2)12-9-21(24)14-34(17)16-29(26(35)32-28(36)33-29)22-10-7-19(8-11-22)18-3-5-20(6-4-18)25-15-38-27(30)31-25/h3-13,15H,1,14,16H2,2H3,(H2,30,31)(H2,32,33,35,36)/t29-/m1/s1.

What are the key properties of (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 523.62 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]phenyl]-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118927804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).