ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate

C20H29N3O4S — CID 16868781

About ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 16868781) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
• PubChem CID: 16868781
• Molecular Formula: C20H29N3O4S
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.19
• IUPAC Name: ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)C1CCCN(C(=O)CC2CSc3nc(C(C)(C)C)cc(=O)n32)C1
• InChI: InChI=1S/C20H29N3O4S/c1-5-27-18(26)13-7-6-8-22(11-13)16(24)9-14-12-28-19-21-15(20(2,3)4)10-17(25)23(14)19/h10,13-14H,5-9,11-12H2,1-4H3
• InChIKey: KTLATVZEJNHNKW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 81.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?

The IUPAC name of ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate (CID 16868781) is ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2CSc3nc(C(C)(C)C)cc(=O)n32)C1.

What is the InChIKey of ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?

The InChIKey is KTLATVZEJNHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-5-27-18(26)13-7-6-8-22(11-13)16(24)9-14-12-28-19-21-15(20(2,3)4)10-17(25)23(14)19/h10,13-14H,5-9,11-12H2,1-4H3.

What are the key properties of ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate?

ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 407.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 16868781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).