(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione

C101H76F4N16O12S3 — CID 159741222

About (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione

(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 159741222) has the molecular formula C101H76F4N16O12S3 and a molecular weight of 1878.01 g/mol. Its IUPAC name is (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 159741222
• Molecular Formula: C101H76F4N16O12S3
• Molecular Weight: 1878.01 g/mol
• Exact Mass: 1876.49
• IUPAC Name: (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
• SMILES: Cc1nc(-c2cccc(-c3ccc([C@@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)c2)cs1.Cc1nc(-c2cccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)c2)cs1.O=C1NC(=O)C(Cc2ccncc2)(CN2Cc3ccc(F)cc3C2=O)N1.O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-c4ccccn4)s3)cc2)N1
• InChI: InChI=1S/2C28H21FN4O3S.C27H19FN4O3S.C18H15FN4O3/c2*1-16-30-24(14-37-16)19-4-2-3-18(11-19)17-5-8-21(9-6-17)28(26(35)31-27(36)32-28)15-33-13-20-7-10-22(29)12-23(20)25(33)34;28-19-9-6-17-14-32(24(33)20(17)13-19)15-27(25(34)30-26(35)31-27)18-7-4-16(5-8-18)22-10-11-23(36-22)21-3-1-2-12-29-21;19-13-2-1-12-9-23(15(24)14(12)7-13)10-18(16(25)21-17(26)22-18)8-11-3-5-20-6-4-11/h2*2-12,14H,13,15H2,1H3,(H2,31,32,35,36);1-13H,14-15H2,(H2,30,31,34,35);1-7H,8-10H2,(H2,21,22,25,26)/t2*28-;27-;/m101./s1
• InChIKey: NCMCKBCHAWYURP-YEZJEVQTSA-N
• XLogP: 14.53
• TPSA: 365.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.01
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione (CID 159741222) is (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione is Cc1nc(-c2cccc(-c3ccc([C@@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)c2)cs1.Cc1nc(-c2cccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)c2)cs1.O=C1NC(=O)C(Cc2ccncc2)(CN2Cc3ccc(F)cc3C2=O)N1.O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(-c4ccccn4)s3)cc2)N1.

What is the InChIKey of (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is NCMCKBCHAWYURP-YEZJEVQTSA-N. The full InChI is InChI=1S/2C28H21FN4O3S.C27H19FN4O3S.C18H15FN4O3/c2*1-16-30-24(14-37-16)19-4-2-3-18(11-19)17-5-8-21(9-6-17)28(26(35)31-27(36)32-28)15-33-13-20-7-10-22(29)12-23(20)25(33)34;28-19-9-6-17-14-32(24(33)20(17)13-19)15-27(25(34)30-26(35)31-27)18-7-4-16(5-8-18)22-10-11-23(36-22)21-3-1-2-12-29-21;19-13-2-1-12-9-23(15(24)14(12)7-13)10-18(16(25)21-17(26)22-18)8-11-3-5-20-6-4-11/h2*2-12,14H,13,15H2,1H3,(H2,31,32,35,36);1-13H,14-15H2,(H2,30,31,34,35);1-7H,8-10H2,(H2,21,22,25,26)/t2*28-;27-;/m101./s1.

What are the key properties of (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione?

(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 1878.01 g/mol, XLogP of 14.53, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159741222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).