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

C10H15ClF2N4O2S — CID 172594711

IUPAC1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride
SMILESCOCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O.Cl
InChIInChI=1S/C10H14F2N4O2S.ClH/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);1H
InChIKeySPOPELGCUTUCLM-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.50
Rot. Bonds4

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

1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride (PubChem CID 172594711) has the molecular formula C10H15ClF2N4O2S and a molecular weight of 328.77 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;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride
PubChem CID172594711
Molecular FormulaC10H15ClF2N4O2S
Molecular Weight328.77 g/mol
Exact Mass328.06
IUPAC Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride
SMILESCOCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O.Cl
InChIInChI=1S/C10H14F2N4O2S.ClH/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);1H
InChIKeySPOPELGCUTUCLM-UHFFFAOYSA-N
XLogP1.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.50
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;hydrochloride?
The IUPAC name of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride (CID 172594711) is 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride.
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;hydrochloride?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride is COCC(c1cnc(N)s1)N1CC(F)(F)CNC1=O.Cl.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride?
The InChIKey is SPOPELGCUTUCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2S.ClH/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);1H.
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;hydrochloride?
1-[1-(2-amino-1,3-thiazol-5-yl)-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;hydrochloride has a molecular weight of 328.77 g/mol, XLogP of 1.50, 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;hydrochloride is sourced from PubChem (CID 172594711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).