tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate

C16H22N6O4S — CID 59011930

About tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 59011930) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate
• PubChem CID: 59011930
• Molecular Formula: C16H22N6O4S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.14
• IUPAC Name: tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate
• SMILES: COc1ncnc2sc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc12
• InChI: InChI=1S/C16H22N6O4S/c1-16(2,3)26-15(24)22-7-5-21(6-8-22)14(23)20-13-19-10-11(25-4)17-9-18-12(10)27-13/h9H,5-8H2,1-4H3,(H,19,20,23)
• InChIKey: SMNGWJPBFHOZLG-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 109.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate (CID 59011930) is tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate is COc1ncnc2sc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc12.

What is the InChIKey of tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate?

The InChIKey is SMNGWJPBFHOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4S/c1-16(2,3)26-15(24)22-7-5-21(6-8-22)14(23)20-13-19-10-11(25-4)17-9-18-12(10)27-13/h9H,5-8H2,1-4H3,(H,19,20,23).

What are the key properties of tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate?

tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 394.46 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 59011930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).