1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea

C18H20N6O2S — CID 97444186

About 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea

1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea (PubChem CID 97444186) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
• PubChem CID: 97444186
• Molecular Formula: C18H20N6O2S
• Molecular Weight: 384.47 g/mol
• Exact Mass: 384.14
• IUPAC Name: 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
• SMILES: O=C(NC[C@@H]1CCCN(c2ccccn2)C1)Nc1cnc2sccn2c1=O
• InChI: InChI=1S/C18H20N6O2S/c25-16-14(11-21-18-24(16)8-9-27-18)22-17(26)20-10-13-4-3-7-23(12-13)15-5-1-2-6-19-15/h1-2,5-6,8-9,11,13H,3-4,7,10,12H2,(H2,20,22,26)/t13-/m0/s1
• InChIKey: ARQRPFWBPPVIAU-ZDUSSCGKSA-N
• XLogP: 2.19
• TPSA: 91.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.47
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea?

The IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea (CID 97444186) is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea.

What is the SMILES notation for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea?

The canonical SMILES for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea is O=C(NC[C@@H]1CCCN(c2ccccn2)C1)Nc1cnc2sccn2c1=O.

What is the InChIKey of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea?

The InChIKey is ARQRPFWBPPVIAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O2S/c25-16-14(11-21-18-24(16)8-9-27-18)22-17(26)20-10-13-4-3-7-23(12-13)15-5-1-2-6-19-15/h1-2,5-6,8-9,11,13H,3-4,7,10,12H2,(H2,20,22,26)/t13-/m0/s1.

What are the key properties of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea?

1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea has a molecular weight of 384.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 97444186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).