6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H17N5O2S — CID 20942827

IUPAC6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C14H17N5O2S/c20-11(17-5-1-2-6-17)10-9-15-13-19(12(10)21)16-14(22-13)18-7-3-4-8-18/h9H,1-8H2
InChIKeyIOPVVDMJVYPKMZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.99
Rot. Bonds2

About 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942827) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942827
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C14H17N5O2S/c20-11(17-5-1-2-6-17)10-9-15-13-19(12(10)21)16-14(22-13)18-7-3-4-8-18/h9H,1-8H2
InChIKeyIOPVVDMJVYPKMZ-UHFFFAOYSA-N
XLogP0.99
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942899
2-(azepan-1-yl)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942887
N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942876
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942852
5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942683
2-morpholin-4-yl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942810
2-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470982
N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942673
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338047
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338030
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942796

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942827) is 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCCC1.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IOPVVDMJVYPKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-11(17-5-1-2-6-17)10-9-15-13-19(12(10)21)16-14(22-13)18-7-3-4-8-18/h9H,1-8H2.
What are the key properties of 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 319.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).