N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C17H24N6O3S — CID 20942848

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C17H24N6O3S/c24-14(18-4-3-5-21-8-10-26-11-9-21)13-12-19-16-23(15(13)25)20-17(27-16)22-6-1-2-7-22/h12H,1-11H2,(H,18,24)
InChIKeyOWBMIWRRWLKICE-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.20
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942848) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942848
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C17H24N6O3S/c24-14(18-4-3-5-21-8-10-26-11-9-21)13-12-19-16-23(15(13)25)20-17(27-16)22-6-1-2-7-22/h12H,1-11H2,(H,18,24)
InChIKeyOWBMIWRRWLKICE-UHFFFAOYSA-N
XLogP0.20
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942848) is N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCN1CCOCC1)c1cnc2sc(N3CCCC3)nn2c1=O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OWBMIWRRWLKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c24-14(18-4-3-5-21-8-10-26-11-9-21)13-12-19-16-23(15(13)25)20-17(27-16)22-6-1-2-7-22/h12H,1-11H2,(H,18,24).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).