(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C21H21ClFN5O3S — CID 86269210

IUPAC(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(CF)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H21ClFN5O3S/c1-11(17-9-24-19(32-17)13-3-5-14(22)6-4-13)25-20-26-15(8-23)7-18(27-20)28-16(12(2)29)10-31-21(28)30/h3-7,9,11-12,16,29H,8,10H2,1-2H3,(H,25,26,27)/t11-,12+,16+/m0/s1
InChIKeyRAIMVJDXPWQXGV-HWWQOWPSSA-N
MW477.95 g/mol
LogP4.60
Rot. Bonds7

About (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 86269210) has the molecular formula C21H21ClFN5O3S and a molecular weight of 477.95 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID86269210
Molecular FormulaC21H21ClFN5O3S
Molecular Weight477.95 g/mol
Exact Mass477.10
IUPAC Name(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nc(CF)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H21ClFN5O3S/c1-11(17-9-24-19(32-17)13-3-5-14(22)6-4-13)25-20-26-15(8-23)7-18(27-20)28-16(12(2)29)10-31-21(28)30/h3-7,9,11-12,16,29H,8,10H2,1-2H3,(H,25,26,27)/t11-,12+,16+/m0/s1
InChIKeyRAIMVJDXPWQXGV-HWWQOWPSSA-N
XLogP4.60
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(4-(2-Chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-ylamino)propane-1,2-diol
CID 52947365
US9434719, 217 as TFA salt
CID 86269209
(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
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-(2-phenyl-1,3-thiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347633
(4S)-3-[2-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347640
US9434719, 268 as TFA salt
CID 90414838
US9434719, 373 as TFA salt
CID 90414996

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 86269210) is (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nc(CF)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is RAIMVJDXPWQXGV-HWWQOWPSSA-N. The full InChI is InChI=1S/C21H21ClFN5O3S/c1-11(17-9-24-19(32-17)13-3-5-14(22)6-4-13)25-20-26-15(8-23)7-18(27-20)28-16(12(2)29)10-31-21(28)30/h3-7,9,11-12,16,29H,8,10H2,1-2H3,(H,25,26,27)/t11-,12+,16+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 477.95 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]ethyl]amino]-6-(fluoromethyl)pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86269210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).