(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C19H15F5N6O2S — CID 90452094

IUPAC(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cnc(-c2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H15F5N6O2S/c1-9(13-7-26-16(33-13)10-2-3-25-14(4-10)19(22,23)24)28-17-27-6-12(21)15(29-17)30-11(5-20)8-32-18(30)31/h2-4,6-7,9,11H,5,8H2,1H3,(H,27,28,29)/t9-,11-/m0/s1
InChIKeyJYQVVHPWPHOFTC-ONGXEEELSA-N
MW486.43 g/mol
LogP4.62
Rot. Bonds6

About (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90452094) has the molecular formula C19H15F5N6O2S and a molecular weight of 486.43 g/mol. Its IUPAC name is (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90452094
Molecular FormulaC19H15F5N6O2S
Molecular Weight486.43 g/mol
Exact Mass486.09
IUPAC Name(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cnc(-c2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H15F5N6O2S/c1-9(13-7-26-16(33-13)10-2-3-25-14(4-10)19(22,23)24)28-17-27-6-12(21)15(29-17)30-11(5-20)8-32-18(30)31/h2-4,6-7,9,11H,5,8H2,1H3,(H,27,28,29)/t9-,11-/m0/s1
InChIKeyJYQVVHPWPHOFTC-ONGXEEELSA-N
XLogP4.62
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90452094) is (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2CF)n1)c1cnc(-c2ccnc(C(F)(F)F)c2)s1.
What is the InChIKey of (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JYQVVHPWPHOFTC-ONGXEEELSA-N. The full InChI is InChI=1S/C19H15F5N6O2S/c1-9(13-7-26-16(33-13)10-2-3-25-14(4-10)19(22,23)24)28-17-27-6-12(21)15(29-17)30-11(5-20)8-32-18(30)31/h2-4,6-7,9,11H,5,8H2,1H3,(H,27,28,29)/t9-,11-/m0/s1.
What are the key properties of (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 486.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(fluoromethyl)-3-[5-fluoro-2-[[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).