7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C10H12F2N4O2S — CID 107485086

IUPAC7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2scnn12
InChIInChI=1S/C10H12F2N4O2S/c11-8(12)5-15(1-2-17)4-7-3-9(18)16-10(14-7)19-6-13-16/h3,6,8,17H,1-2,4-5H2
InChIKeyPWDSODCXQQGZKC-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.21
Rot. Bonds6

About 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 107485086) has the molecular formula C10H12F2N4O2S and a molecular weight of 290.30 g/mol. Its IUPAC name is 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID107485086
Molecular FormulaC10H12F2N4O2S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CC(F)F)nc2scnn12
InChIInChI=1S/C10H12F2N4O2S/c11-8(12)5-15(1-2-17)4-7-3-9(18)16-10(14-7)19-6-13-16/h3,6,8,17H,1-2,4-5H2
InChIKeyPWDSODCXQQGZKC-UHFFFAOYSA-N
XLogP0.21
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 107485086) is 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN(CCO)CC(F)F)nc2scnn12.
What is the InChIKey of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PWDSODCXQQGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S/c11-8(12)5-15(1-2-17)4-7-3-9(18)16-10(14-7)19-6-13-16/h3,6,8,17H,1-2,4-5H2.
What are the key properties of 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 290.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 107485086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).