1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C23H25F2N7O3S — CID 11699242

IUPAC1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CCNc1ncc(F)c(-c2cnc(N(CCCO)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C23H25F2N7O3S/c1-23(2)19(34)30-21(35)32(23)10-8-26-20-27-12-16(25)18(29-20)17-13-28-22(36-17)31(9-3-11-33)15-6-4-14(24)5-7-15/h4-7,12-13,33H,3,8-11H2,1-2H3,(H,26,27,29)(H,30,34,35)
InChIKeyVJFBMYVFVCORQE-UHFFFAOYSA-N
MW517.56 g/mol
LogP3.14
Rot. Bonds10

About 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 11699242) has the molecular formula C23H25F2N7O3S and a molecular weight of 517.56 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID11699242
Molecular FormulaC23H25F2N7O3S
Molecular Weight517.56 g/mol
Exact Mass517.17
IUPAC Name1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CCNc1ncc(F)c(-c2cnc(N(CCCO)c3ccc(F)cc3)s2)n1
InChIInChI=1S/C23H25F2N7O3S/c1-23(2)19(34)30-21(35)32(23)10-8-26-20-27-12-16(25)18(29-20)17-13-28-22(36-17)31(9-3-11-33)15-6-4-14(24)5-7-15/h4-7,12-13,33H,3,8-11H2,1-2H3,(H,26,27,29)(H,30,34,35)
InChIKeyVJFBMYVFVCORQE-UHFFFAOYSA-N
XLogP3.14
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 11699242) is 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CCNc1ncc(F)c(-c2cnc(N(CCCO)c3ccc(F)cc3)s2)n1.
What is the InChIKey of 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VJFBMYVFVCORQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O3S/c1-23(2)19(34)30-21(35)32(23)10-8-26-20-27-12-16(25)18(29-20)17-13-28-22(36-17)31(9-3-11-33)15-6-4-14(24)5-7-15/h4-7,12-13,33H,3,8-11H2,1-2H3,(H,26,27,29)(H,30,34,35).
What are the key properties of 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 517.56 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-[2-[4-fluoro-N-(3-hydroxypropyl)anilino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 11699242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).