(3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide

C19H26N6O4S — CID 92883600

About (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide

(3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 92883600) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
• PubChem CID: 92883600
• Molecular Formula: C19H26N6O4S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.17
• IUPAC Name: (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c3s2)C1
• InChI: InChI=1S/C19H26N6O4S/c1-20-17(27)12-4-2-6-24(9-12)19-23-16-15(30-19)18(28)25(11-22-16)10-14(26)21-8-13-5-3-7-29-13/h11-13H,2-10H2,1H3,(H,20,27)(H,21,26)/t12-,13-/m0/s1
• InChIKey: YKRUOTWYZVNIKE-STQMWFEESA-N
• XLogP: 0.11
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide (CID 92883600) is (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NC[C@@H]4CCCO4)c(=O)c3s2)C1.

What is the InChIKey of (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide?

The InChIKey is YKRUOTWYZVNIKE-STQMWFEESA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-20-17(27)12-4-2-6-24(9-12)19-23-16-15(30-19)18(28)25(11-22-16)10-14(26)21-8-13-5-3-7-29-13/h11-13H,2-10H2,1H3,(H,20,27)(H,21,26)/t12-,13-/m0/s1.

What are the key properties of (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide?

(3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92883600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).