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

C12H15N5O3S — CID 20942804

IUPACN-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C12H15N5O3S/c1-2-13-9(18)8-7-14-11-17(10(8)19)15-12(21-11)16-3-5-20-6-4-16/h7H,2-6H2,1H3,(H,13,18)
InChIKeyRJQFMNXJRBRNMM-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.26
Rot. Bonds3

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

N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942804) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942804
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C12H15N5O3S/c1-2-13-9(18)8-7-14-11-17(10(8)19)15-12(21-11)16-3-5-20-6-4-16/h7H,2-6H2,1H3,(H,13,18)
InChIKeyRJQFMNXJRBRNMM-UHFFFAOYSA-N
XLogP-0.26
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942804) is N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RJQFMNXJRBRNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-2-13-9(18)8-7-14-11-17(10(8)19)15-12(21-11)16-3-5-20-6-4-16/h7H,2-6H2,1H3,(H,13,18).
What are the key properties of N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).