4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C24H27F3N6O3S — CID 131635595

IUPAC4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(C(C)Nc2nccc(N3C(=O)OCC3[C@H](C)O)n2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C24H27F3N6O3S/c1-12-19(15-6-8-28-17(10-15)23(4,5)24(25,26)27)37-20(30-12)13(2)31-21-29-9-7-18(32-21)33-16(14(3)34)11-36-22(33)35/h6-10,13-14,16,34H,11H2,1-5H3,(H,29,31,32)/t13?,14-,16?/m0/s1
InChIKeyUSESWMZOECWBKB-BBBYJDLNSA-N
MW536.58 g/mol
LogP5.02
Rot. Bonds7

About 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 131635595) has the molecular formula C24H27F3N6O3S and a molecular weight of 536.58 g/mol. Its IUPAC name is 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID131635595
Molecular FormulaC24H27F3N6O3S
Molecular Weight536.58 g/mol
Exact Mass536.18
IUPAC Name4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(C(C)Nc2nccc(N3C(=O)OCC3[C@H](C)O)n2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C24H27F3N6O3S/c1-12-19(15-6-8-28-17(10-15)23(4,5)24(25,26)27)37-20(30-12)13(2)31-21-29-9-7-18(32-21)33-16(14(3)34)11-36-22(33)35/h6-10,13-14,16,34H,11H2,1-5H3,(H,29,31,32)/t13?,14-,16?/m0/s1
InChIKeyUSESWMZOECWBKB-BBBYJDLNSA-N
XLogP5.02
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.58
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268389
US10202371, Example 1
CID 73774658
US10202371, Example 7
CID 75201320
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268196
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 86268388
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, 237 as TFA salt
CID 86269415
US9434719, 251 as TFA salt
CID 86269417
US10202371, Example 11
CID 90134588
(4S)-3-[2-[1-(2-phenyl-1,3-thiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347633
US9434719, 268 as TFA salt
CID 90414838

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 131635595) is 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is Cc1nc(C(C)Nc2nccc(N3C(=O)OCC3[C@H](C)O)n2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1.
What is the InChIKey of 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is USESWMZOECWBKB-BBBYJDLNSA-N. The full InChI is InChI=1S/C24H27F3N6O3S/c1-12-19(15-6-8-28-17(10-15)23(4,5)24(25,26)27)37-20(30-12)13(2)31-21-29-9-7-18(32-21)33-16(14(3)34)11-36-22(33)35/h6-10,13-14,16,34H,11H2,1-5H3,(H,29,31,32)/t13?,14-,16?/m0/s1.
What are the key properties of 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 536.58 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131635595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).