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

C14H20N6O3S — CID 20942768

IUPACN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C14H20N6O3S/c1-18(2)4-3-15-11(21)10-9-16-13-20(12(10)22)17-14(24-13)19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,15,21)
InChIKeyUPCUZPAFQGATJJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.72
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942768) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942768
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C14H20N6O3S/c1-18(2)4-3-15-11(21)10-9-16-13-20(12(10)22)17-14(24-13)19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,15,21)
InChIKeyUPCUZPAFQGATJJ-UHFFFAOYSA-N
XLogP-0.72
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942768) is N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C)CCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UPCUZPAFQGATJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-18(2)4-3-15-11(21)10-9-16-13-20(12(10)22)17-14(24-13)19-5-7-23-8-6-19/h9H,3-8H2,1-2H3,(H,15,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).