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

C10H14N4O2S — CID 60686106

IUPAC7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H14N4O2S/c1-2-13(3-4-15)6-8-5-9(16)14-10(12-8)17-7-11-14/h5,7,15H,2-4,6H2,1H3
InChIKeyIVVVAGGWGMSXLC-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.03
Rot. Bonds5

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

7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60686106) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60686106
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H14N4O2S/c1-2-13(3-4-15)6-8-5-9(16)14-10(12-8)17-7-11-14/h5,7,15H,2-4,6H2,1H3
InChIKeyIVVVAGGWGMSXLC-UHFFFAOYSA-N
XLogP-0.03
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60686106) is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCN(CCO)Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IVVVAGGWGMSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-2-13(3-4-15)6-8-5-9(16)14-10(12-8)17-7-11-14/h5,7,15H,2-4,6H2,1H3.
What are the key properties of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 254.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60686106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).