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

C13H17N5O3S — CID 20942779

IUPAC2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O3S/c1-8(2)15-10(19)9-7-14-12-18(11(9)20)16-13(22-12)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyHFVBRSUVABVFOD-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.13
Rot. Bonds3

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

2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942779) 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-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942779
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C13H17N5O3S/c1-8(2)15-10(19)9-7-14-12-18(11(9)20)16-13(22-12)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyHFVBRSUVABVFOD-UHFFFAOYSA-N
XLogP0.13
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942779) is 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HFVBRSUVABVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-8(2)15-10(19)9-7-14-12-18(11(9)20)16-13(22-12)17-3-5-21-6-4-17/h7-8H,3-6H2,1-2H3,(H,15,19).
What are the key properties of 2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 0.13, 3 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-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).