2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H21N5O2S — CID 20893270

IUPAC2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)N3CCCC3)sc2n1
InChIInChI=1S/C15H21N5O2S/c1-3-6-11-9-12(21)20-14(16-11)23-15(17-20)18(2)10-13(22)19-7-4-5-8-19/h9H,3-8,10H2,1-2H3
InChIKeyNJKPWZGCUFKOIX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.16
Rot. Bonds5

About 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20893270) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20893270
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)N3CCCC3)sc2n1
InChIInChI=1S/C15H21N5O2S/c1-3-6-11-9-12(21)20-14(16-11)23-15(17-20)18(2)10-13(22)19-7-4-5-8-19/h9H,3-8,10H2,1-2H3
InChIKeyNJKPWZGCUFKOIX-UHFFFAOYSA-N
XLogP1.16
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20893270) is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N(C)CC(=O)N3CCCC3)sc2n1.
What is the InChIKey of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NJKPWZGCUFKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-6-11-9-12(21)20-14(16-11)23-15(17-20)18(2)10-13(22)19-7-4-5-8-19/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20893270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).