4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C20H18F4N6O2S — CID 122653128

About 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 122653128) has the molecular formula C20H18F4N6O2S and a molecular weight of 482.46 g/mol. Its IUPAC name is 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 122653128
• Molecular Formula: C20H18F4N6O2S
• Molecular Weight: 482.46 g/mol
• Exact Mass: 482.11
• IUPAC Name: 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)F)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1
• InChI: InChI=1S/C20H18F4N6O2S/c1-10(21)13-9-32-19(31)30(13)16-5-6-25-18(29-16)28-11(2)14-8-27-17(33-14)12-3-4-15(26-7-12)20(22,23)24/h3-8,10-11,13H,9H2,1-2H3,(H,25,28,29)/t10-,11+,13?/m1/s1
• InChIKey: QITCTFCYZWAPJB-ILWADHIDSA-N
• XLogP: 4.87
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.46
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 122653128) is 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)F)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1.

What is the InChIKey of 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is QITCTFCYZWAPJB-ILWADHIDSA-N. The full InChI is InChI=1S/C20H18F4N6O2S/c1-10(21)13-9-32-19(31)30(13)16-5-6-25-18(29-16)28-11(2)14-8-27-17(33-14)12-3-4-15(26-7-12)20(22,23)24/h3-8,10-11,13H,9H2,1-2H3,(H,25,28,29)/t10-,11+,13?/m1/s1.

What are the key properties of 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 482.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122653128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).