2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

C10H10N4O4S — CID 53212657

IUPAC2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCOCC3)nn12
InChIInChI=1S/C10H10N4O4S/c15-7-5-6(8(16)17)14-9(11-7)19-10(12-14)13-1-3-18-4-2-13/h5H,1-4H2,(H,16,17)
InChIKeyMESGYNKJZIYBIZ-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.31
Rot. Bonds2

About 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 53212657) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID53212657
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sc(N3CCOCC3)nn12
InChIInChI=1S/C10H10N4O4S/c15-7-5-6(8(16)17)14-9(11-7)19-10(12-14)13-1-3-18-4-2-13/h5H,1-4H2,(H,16,17)
InChIKeyMESGYNKJZIYBIZ-UHFFFAOYSA-N
XLogP-0.31
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-morpholino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 12899658
ethyl 2-piperidino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 12899660
Ethyl 7-oxo-2-thiomorpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163766
ethyl 2-[di-(n-propyl)amino]-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 21163772
ethyl 2-[di-(isopropyl)-amino]-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin 7-one-5-carboxylate
CID 21163773
Ethyl 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163775
Ethyl 2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylate
CID 70573701
Ethyl 2-(4-butylpiperazin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 153768013
2-(dimethylamino)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 53212654
2-(diethylamino)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 53212655
7-oxo-2-piperidin-1-yl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 53212656

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 53212657) is 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(=O)nc2sc(N3CCOCC3)nn12.
What is the InChIKey of 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is MESGYNKJZIYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c15-7-5-6(8(16)17)14-9(11-7)19-10(12-14)13-1-3-18-4-2-13/h5H,1-4H2,(H,16,17).
What are the key properties of 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53212657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).