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

C16H21N5O2S — CID 90343803

IUPAC3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1csc([C@H](C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)n1
InChIInChI=1S/C16H21N5O2S/c1-9(2)12-7-23-16(22)21(12)13-5-6-17-15(20-13)19-11(4)14-18-10(3)8-24-14/h5-6,8-9,11-12H,7H2,1-4H3,(H,17,19,20)/t11-,12?/m0/s1
InChIKeySXKHJTMRPRLMRY-PXYINDEMSA-N
MW347.44 g/mol
LogP3.40
Rot. Bonds5

About 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

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 (PubChem CID 90343803) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90343803
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1csc([C@H](C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)n1
InChIInChI=1S/C16H21N5O2S/c1-9(2)12-7-23-16(22)21(12)13-5-6-17-15(20-13)19-11(4)14-18-10(3)8-24-14/h5-6,8-9,11-12H,7H2,1-4H3,(H,17,19,20)/t11-,12?/m0/s1
InChIKeySXKHJTMRPRLMRY-PXYINDEMSA-N
XLogP3.40
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc([C@H](C)Nc2nccc(N3C(=O)OCC3C(C)C)n2)n1.
What is the InChIKey of 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?
The InChIKey is SXKHJTMRPRLMRY-PXYINDEMSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-9(2)12-7-23-16(22)21(12)13-5-6-17-15(20-13)19-11(4)14-18-10(3)8-24-14/h5-6,8-9,11-12H,7H2,1-4H3,(H,17,19,20)/t11-,12?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 347.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90343803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).