3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C21H23N5O2S — CID 130274580

IUPAC3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14-,16?/m1/s1
InChIKeyIRGBHMIQDXZZDP-IURRXHLWSA-N
MW409.52 g/mol
LogP4.75
Rot. Bonds6

About 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130274580) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130274580
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14-,16?/m1/s1
InChIKeyIRGBHMIQDXZZDP-IURRXHLWSA-N
XLogP4.75
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(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
(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
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
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
3-[2-[[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273074
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273094
(4S)-3-[2-(benzylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489720
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123835719
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130274214
3-[2-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130274580) is 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IRGBHMIQDXZZDP-IURRXHLWSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14-,16?/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 409.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R)-1-(2-phenyl-1,3-thiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130274580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).