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

C13H17N5O3S — CID 20942780

IUPAC2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O3S/c1-2-3-14-10(19)9-8-15-12-18(11(9)20)16-13(22-12)17-4-6-21-7-5-17/h8H,2-7H2,1H3,(H,14,19)
InChIKeyJKILUIHOACYAHH-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.13
Rot. Bonds4

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

2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942780) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942780
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O3S/c1-2-3-14-10(19)9-8-15-12-18(11(9)20)16-13(22-12)17-4-6-21-7-5-17/h8H,2-7H2,1H3,(H,14,19)
InChIKeyJKILUIHOACYAHH-UHFFFAOYSA-N
XLogP0.13
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942780) is 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JKILUIHOACYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-2-3-14-10(19)9-8-15-12-18(11(9)20)16-13(22-12)17-4-6-21-7-5-17/h8H,2-7H2,1H3,(H,14,19).
What are the key properties of 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).