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

C9H12N4O2S — CID 60683818

IUPAC7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCN(CCO)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C9H12N4O2S/c1-12(2-3-14)5-7-4-8(15)13-9(11-7)16-6-10-13/h4,6,14H,2-3,5H2,1H3
InChIKeyLAUPCZGTGSKULP-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.42
Rot. Bonds4

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

7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60683818) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60683818
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCN(CCO)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C9H12N4O2S/c1-12(2-3-14)5-7-4-8(15)13-9(11-7)16-6-10-13/h4,6,14H,2-3,5H2,1H3
InChIKeyLAUPCZGTGSKULP-UHFFFAOYSA-N
XLogP-0.42
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60683818) is 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CN(CCO)Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LAUPCZGTGSKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-12(2-3-14)5-7-4-8(15)13-9(11-7)16-6-10-13/h4,6,14H,2-3,5H2,1H3.
What are the key properties of 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 240.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60683818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).