(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C15H19N5O2S — CID 90347635

IUPAC(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cscn1
InChIInChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10?,12-/m1/s1
InChIKeyZRZHLITULPSHHK-TVKKRMFBSA-N
MW333.42 g/mol
LogP3.09
Rot. Bonds5

About (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90347635) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90347635
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cscn1
InChIInChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10?,12-/m1/s1
InChIKeyZRZHLITULPSHHK-TVKKRMFBSA-N
XLogP3.09
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90349550
(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489829
(4S)-3-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489923
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118795205
(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89478988
3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89478989
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343122
4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343123
4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343286
(4S)-3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343800
3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343803
4-Propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123353410

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90347635) is (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cscn1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZRZHLITULPSHHK-TVKKRMFBSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10?,12-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 333.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).