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

C17H20N6O2S — CID 89478989

About 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

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 (PubChem CID 89478989) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 89478989
• Molecular Formula: C17H20N6O2S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.14
• IUPAC Name: 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
• SMILES: CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1
• InChI: InChI=1S/C17H20N6O2S/c1-10(2)13-9-25-17(24)23(13)14-4-5-18-15(21-14)19-11(3)12-8-22-6-7-26-16(22)20-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,19,21)/t11-,13?/m0/s1
• InChIKey: SIOKSJUACLFGPZ-AMGKYWFPSA-N
• XLogP: 3.34
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1.

What is the InChIKey of 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?

The InChIKey is SIOKSJUACLFGPZ-AMGKYWFPSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-10(2)13-9-25-17(24)23(13)14-4-5-18-15(21-14)19-11(3)12-8-22-6-7-26-16(22)20-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,19,21)/t11-,13?/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 372.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 89478989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).