(4R)-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 90454446

IUPAC(4R)-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
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)F)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1
InChIInChI=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
InChIKeyQITCTFCYZWAPJB-NTZNESFSSA-N
MW482.46 g/mol
LogP4.87
Rot. Bonds6

About (4R)-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

(4R)-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 90454446) has the molecular formula C20H18F4N6O2S and a molecular weight of 482.46 g/mol. Its IUPAC name is (4R)-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(4R)-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 CID90454446
Molecular FormulaC20H18F4N6O2S
Molecular Weight482.46 g/mol
Exact Mass482.11
IUPAC Name(4R)-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
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)F)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1
InChIInChI=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
InChIKeyQITCTFCYZWAPJB-NTZNESFSSA-N
XLogP4.87
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-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 (4R)-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 90454446) is (4R)-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 (4R)-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 (4R)-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)OC[C@@H]2[C@@H](C)F)n1)c1cnc(-c2ccc(C(F)(F)F)nc2)s1.
What is the InChIKey of (4R)-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-NTZNESFSSA-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 (4R)-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?
(4R)-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 (4R)-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 90454446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).