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

C10H14N4O3S — CID 60686675

IUPAC7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CCO)nc2scnn12
InChIInChI=1S/C10H14N4O3S/c15-3-1-13(2-4-16)6-8-5-9(17)14-10(12-8)18-7-11-14/h5,7,15-16H,1-4,6H2
InChIKeyYCOPMXZBKSAVGS-UHFFFAOYSA-N
MW270.31 g/mol
LogP-1.06
Rot. Bonds6

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

7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60686675) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60686675
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN(CCO)CCO)nc2scnn12
InChIInChI=1S/C10H14N4O3S/c15-3-1-13(2-4-16)6-8-5-9(17)14-10(12-8)18-7-11-14/h5,7,15-16H,1-4,6H2
InChIKeyYCOPMXZBKSAVGS-UHFFFAOYSA-N
XLogP-1.06
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60686675) is 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN(CCO)CCO)nc2scnn12.
What is the InChIKey of 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YCOPMXZBKSAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-3-1-13(2-4-16)6-8-5-9(17)14-10(12-8)18-7-11-14/h5,7,15-16H,1-4,6H2.
What are the key properties of 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 270.31 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[bis(2-hydroxyethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60686675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).