N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N5O3S — CID 20942805

IUPACN-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C14H19N5O3S/c1-2-3-4-15-11(20)10-9-16-13-19(12(10)21)17-14(23-13)18-5-7-22-8-6-18/h9H,2-8H2,1H3,(H,15,20)
InChIKeyAXRWLZCIUFEPGQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.52
Rot. Bonds5

About N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942805) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942805
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C14H19N5O3S/c1-2-3-4-15-11(20)10-9-16-13-19(12(10)21)17-14(23-13)18-5-7-22-8-6-18/h9H,2-8H2,1H3,(H,15,20)
InChIKeyAXRWLZCIUFEPGQ-UHFFFAOYSA-N
XLogP0.52
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942805) is N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AXRWLZCIUFEPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-2-3-4-15-11(20)10-9-16-13-19(12(10)21)17-14(23-13)18-5-7-22-8-6-18/h9H,2-8H2,1H3,(H,15,20).
What are the key properties of N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).