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

C21H21F2N7O2S — CID 11532964

IUPAC1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(c1ccc(F)cc1)c1cnc(-c2nc(NCCN3C(=O)NC(=O)C3(C)C)ncc2F)s1
InChIInChI=1S/C21H21F2N7O2S/c1-21(2)18(31)28-20(32)30(21)9-8-24-19-26-10-14(23)16(27-19)17-25-11-15(33-17)29(3)13-6-4-12(22)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,24,26,27)(H,28,31,32)
InChIKeyQJRQNHDTASNYNS-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.39
Rot. Bonds7

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

1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 11532964) has the molecular formula C21H21F2N7O2S and a molecular weight of 473.51 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID11532964
Molecular FormulaC21H21F2N7O2S
Molecular Weight473.51 g/mol
Exact Mass473.14
IUPAC Name1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(c1ccc(F)cc1)c1cnc(-c2nc(NCCN3C(=O)NC(=O)C3(C)C)ncc2F)s1
InChIInChI=1S/C21H21F2N7O2S/c1-21(2)18(31)28-20(32)30(21)9-8-24-19-26-10-14(23)16(27-19)17-25-11-15(33-17)29(3)13-6-4-12(22)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,24,26,27)(H,28,31,32)
InChIKeyQJRQNHDTASNYNS-UHFFFAOYSA-N
XLogP3.39
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

CID 10024433
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CID 59293715
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CID 59293740
CID 59293740
CID 71682651
CID 71682651
CID 135286391
CID 135286391
CID 71562046
CID 71562046
CID 76335286
CID 76335286
CID 42643633
CID 42643633
CID 42643892
CID 42643892
CID 42644363
CID 42644363
CID 42644845
CID 42644845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 11532964) is 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CN(c1ccc(F)cc1)c1cnc(-c2nc(NCCN3C(=O)NC(=O)C3(C)C)ncc2F)s1.
What is the InChIKey of 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QJRQNHDTASNYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O2S/c1-21(2)18(31)28-20(32)30(21)9-8-24-19-26-10-14(23)16(27-19)17-25-11-15(33-17)29(3)13-6-4-12(22)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,24,26,27)(H,28,31,32).
What are the key properties of 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 473.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-[5-(4-fluoro-N-methylanilino)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 11532964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).