(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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

C101H97N25O22S2 — CID 158970681

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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 158970681) has the molecular formula C101H97N25O22S2 and a molecular weight of 2077.17 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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
• PubChem CID: 158970681
• Molecular Formula: C101H97N25O22S2
• Molecular Weight: 2077.17 g/mol
• Exact Mass: 2075.67
• 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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn[nH]c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@@H]4CCOC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@H]4CCOC4)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H21N5O4S.C22H19N5O4S.2C20H21N5O5.C16H15N5O4/c1-24-22-25-18(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;1-31-15-7-4-13-9-27(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;2*1-29-15-3-2-12-8-24(17(26)16(12)6-15)11-20(18(27)22-19(28)23-20)13-7-21-25(9-13)14-4-5-30-10-14;1-25-11-3-2-9-7-21(13(22)12(9)4-11)8-16(10-5-17-18-6-10)14(23)19-15(24)20-16/h3-9,11H,10,12H2,1-2H3,(H,24,25)(H2,26,27,30,31);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30);2*2-3,6-7,9,14H,4-5,8,10-11H2,1H3,(H2,22,23,27,28);2-6H,7-8H2,1H3,(H,17,18)(H2,19,20,23,24)/t23-;22-;14-,20+;14-,20-;16-/m00100/s1
• InChIKey: JNTVLOMFVOPIMA-JKEFTQPJSA-N
• XLogP: 5.84
• TPSA: 585.31 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2077.17
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 158970681) 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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn[nH]c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@@H]4CCOC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn([C@H]4CCOC4)c3)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?

The InChIKey is JNTVLOMFVOPIMA-JKEFTQPJSA-N. The full InChI is InChI=1S/C23H21N5O4S.C22H19N5O4S.2C20H21N5O5.C16H15N5O4/c1-24-22-25-18(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;1-31-15-7-4-13-9-27(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;2*1-29-15-3-2-12-8-24(17(26)16(12)6-15)11-20(18(27)22-19(28)23-20)13-7-21-25(9-13)14-4-5-30-10-14;1-25-11-3-2-9-7-21(13(22)12(9)4-11)8-16(10-5-17-18-6-10)14(23)19-15(24)20-16/h3-9,11H,10,12H2,1-2H3,(H,24,25)(H2,26,27,30,31);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30);2*2-3,6-7,9,14H,4-5,8,10-11H2,1H3,(H2,22,23,27,28);2-6H,7-8H2,1H3,(H,17,18)(H2,19,20,23,24)/t23-;22-;14-,20+;14-,20-;16-/m00100/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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 2077.17 g/mol, XLogP of 5.84, 25 rotatable bonds, 13 hydrogen bond donors, and 33 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-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158970681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).