tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate

C15H22F2N4O4S — CID 172594722

About tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 172594722) has the molecular formula C15H22F2N4O4S and a molecular weight of 392.43 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate
• PubChem CID: 172594722
• Molecular Formula: C15H22F2N4O4S
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.13
• IUPAC Name: tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate
• SMILES: COCC(c1cnc(NC(=O)OC(C)(C)C)s1)N1CC(F)(F)CNC1=O
• InChI: InChI=1S/C15H22F2N4O4S/c1-14(2,3)25-13(23)20-11-18-5-10(26-11)9(6-24-4)21-8-15(16,17)7-19-12(21)22/h5,9H,6-8H2,1-4H3,(H,19,22)(H,18,20,23)
• InChIKey: RGCVYCCPHPVSFR-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?

The IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate (CID 172594722) is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate is COCC(c1cnc(NC(=O)OC(C)(C)C)s1)N1CC(F)(F)CNC1=O.

What is the InChIKey of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?

The InChIKey is RGCVYCCPHPVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O4S/c1-14(2,3)25-13(23)20-11-18-5-10(26-11)9(6-24-4)21-8-15(16,17)7-19-12(21)22/h5,9H,6-8H2,1-4H3,(H,19,22)(H,18,20,23).

What are the key properties of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?

tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 392.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 172594722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).