(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione

C95H82N18O17S4 — CID 158684254

About (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 158684254) has the molecular formula C95H82N18O17S4 and a molecular weight of 1876.08 g/mol. Its IUPAC name is (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 158684254
• Molecular Formula: C95H82N18O17S4
• Molecular Weight: 1876.08 g/mol
• Exact Mass: 1874.50
• IUPAC Name: (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione
• SMILES: CNc1nc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)cs1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5c4SCC(=O)N5)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H22N4O5S.C23H21N5O4S.C23H20N4O4S.C22H19N5O4S/c1-36-18-10-7-16-12-31(24(33)20(16)11-18)14-27(25(34)29-26(35)30-27)17-8-5-15(6-9-17)19-3-2-4-21-23(19)37-13-22(32)28-21;1-24-22-25-18(11-33-22)13-3-6-15(7-4-13)23(20(30)26-21(31)27-23)12-28-10-14-5-8-16(32-2)9-17(14)19(28)29;1-13-24-19(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;1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17/h2-11H,12-14H2,1H3,(H,28,32)(H2,29,30,34,35);3-9,11H,10,12H2,1-2H3,(H,24,25)(H2,26,27,30,31);3-9,11H,10,12H2,1-2H3,(H2,25,26,29,30);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30)/t27-;2*23-;22-/m0000/s1
• InChIKey: IFNKGTUMAQOREB-WAARIROQSA-N
• XLogP: 10.56
• TPSA: 456.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.08
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione (CID 158684254) is (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione is CNc1nc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)cs1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc5c4SCC(=O)N5)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(C)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is IFNKGTUMAQOREB-WAARIROQSA-N. The full InChI is InChI=1S/C27H22N4O5S.C23H21N5O4S.C23H20N4O4S.C22H19N5O4S/c1-36-18-10-7-16-12-31(24(33)20(16)11-18)14-27(25(34)29-26(35)30-27)17-8-5-15(6-9-17)19-3-2-4-21-23(19)37-13-22(32)28-21;1-24-22-25-18(11-33-22)13-3-6-15(7-4-13)23(20(30)26-21(31)27-23)12-28-10-14-5-8-16(32-2)9-17(14)19(28)29;1-13-24-19(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;1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17/h2-11H,12-14H2,1H3,(H,28,32)(H2,29,30,34,35);3-9,11H,10,12H2,1-2H3,(H,24,25)(H2,26,27,30,31);3-9,11H,10,12H2,1-2H3,(H2,25,26,29,30);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30)/t27-;2*23-;22-/m0000/s1.

What are the key properties of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1876.08 g/mol, XLogP of 10.56, 21 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-1,4-benzothiazin-8-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158684254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).