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

C10H14N4OS — CID 11658754

IUPAC2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCN(CC)c1nn2c(C)cc(=O)nc2s1
InChIInChI=1S/C10H14N4OS/c1-4-13(5-2)10-12-14-7(3)6-8(15)11-9(14)16-10/h6H,4-5H2,1-3H3
InChIKeyOGQLBYHZGVVBNA-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.31
Rot. Bonds3

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

2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 11658754) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID11658754
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCN(CC)c1nn2c(C)cc(=O)nc2s1
InChIInChI=1S/C10H14N4OS/c1-4-13(5-2)10-12-14-7(3)6-8(15)11-9(14)16-10/h6H,4-5H2,1-3H3
InChIKeyOGQLBYHZGVVBNA-UHFFFAOYSA-N
XLogP1.31
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 11658754) is 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is CCN(CC)c1nn2c(C)cc(=O)nc2s1.
What is the InChIKey of 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is OGQLBYHZGVVBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-4-13(5-2)10-12-14-7(3)6-8(15)11-9(14)16-10/h6H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 238.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 11658754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).