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

C19H18F2N6O2S — CID 129286851

IUPAC(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-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(-c2ccnc(F)c2)s1
InChIInChI=1S/C19H18F2N6O2S/c1-10(20)13-9-29-19(28)27(13)16-4-6-23-18(26-16)25-11(2)14-8-24-17(30-14)12-3-5-22-15(21)7-12/h3-8,10-11,13H,9H2,1-2H3,(H,23,25,26)/t10-,11-,13+/m0/s1
InChIKeyLLBAUGAZAHYFIF-GMXVVIOVSA-N
MW432.46 g/mol
LogP3.99
Rot. Bonds6

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

(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 129286851) has the molecular formula C19H18F2N6O2S and a molecular weight of 432.46 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID129286851
Molecular FormulaC19H18F2N6O2S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC Name(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-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(-c2ccnc(F)c2)s1
InChIInChI=1S/C19H18F2N6O2S/c1-10(20)13-9-29-19(28)27(13)16-4-6-23-18(26-16)25-11(2)14-8-24-17(30-14)12-3-5-22-15(21)7-12/h3-8,10-11,13H,9H2,1-2H3,(H,23,25,26)/t10-,11-,13+/m0/s1
InChIKeyLLBAUGAZAHYFIF-GMXVVIOVSA-N
XLogP3.99
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

3-Pyridin-2-yl-8-[[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159473
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
US10202371, Example 1
CID 73774658
US10202371, Example 7
CID 75201320
US9434719, 217 as TFA salt
CID 86269209
US9434719, 223 as TFA salt
CID 86269210
(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 86269412
US9434719, 251 as TFA salt
CID 86269417
US9434719, 376 as TFA salt
CID 86269626
(S)-4-((R)-1-aminoethyl)-3-(2-(((S)-1-(2-(4-chlorophenyl)thiazol-5-yl)ethyl)amino)pyrimidin-4-yl)oxazolidin-2-one
CID 86269827
US9434719, 389 as TFA salt
CID 86270013
(4S)-3-[2-[1-(1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489822

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 129286851) is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-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-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-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(-c2ccnc(F)c2)s1.
What is the InChIKey of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LLBAUGAZAHYFIF-GMXVVIOVSA-N. The full InChI is InChI=1S/C19H18F2N6O2S/c1-10(20)13-9-29-19(28)27(13)16-4-6-23-18(26-16)25-11(2)14-8-24-17(30-14)12-3-5-22-15(21)7-12/h3-8,10-11,13H,9H2,1-2H3,(H,23,25,26)/t10-,11-,13+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 432.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[2-(2-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129286851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).