1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one

C10H14F2N4O2S — CID 172594712

IUPAC1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one
SMILESCOCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C10H14F2N4O2S/c1-18-3-6(7-2-14-8(13)19-7)16-5-10(11,12)4-15-9(16)17/h2,6H,3-5H2,1H3,(H2,13,14)(H,15,17)
InChIKeyDEVLNLZNPXEZBP-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.07
Rot. Bonds4

About 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one

1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one (PubChem CID 172594712) has the molecular formula C10H14F2N4O2S and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one
PubChem CID172594712
Molecular FormulaC10H14F2N4O2S
Molecular Weight292.31 g/mol
Exact Mass292.08
IUPAC Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one
SMILESCOCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C10H14F2N4O2S/c1-18-3-6(7-2-14-8(13)19-7)16-5-10(11,12)4-15-9(16)17/h2,6H,3-5H2,1H3,(H2,13,14)(H,15,17)
InChIKeyDEVLNLZNPXEZBP-UHFFFAOYSA-N
XLogP1.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one (CID 172594712) is 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one is COCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one?
The InChIKey is DEVLNLZNPXEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2S/c1-18-3-6(7-2-14-8(13)19-7)16-5-10(11,12)4-15-9(16)17/h2,6H,3-5H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one?
1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one has a molecular weight of 292.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one is sourced from PubChem (CID 172594712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).