2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

C8H8N4O3S — CID 53212654

IUPAC2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCN(C)c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C8H8N4O3S/c1-11(2)8-10-12-4(6(14)15)3-5(13)9-7(12)16-8/h3H,1-2H3,(H,14,15)
InChIKeyFKLJSXZGHYWXAS-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.08
Rot. Bonds2

About 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid

2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 53212654) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID53212654
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESCN(C)c1nn2c(C(=O)O)cc(=O)nc2s1
InChIInChI=1S/C8H8N4O3S/c1-11(2)8-10-12-4(6(14)15)3-5(13)9-7(12)16-8/h3H,1-2H3,(H,14,15)
InChIKeyFKLJSXZGHYWXAS-UHFFFAOYSA-N
XLogP-0.08
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycine
CID 45106335
7-oxo-2-pyrrolidin-1-yl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 12899672
Butyl 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163765
7-Oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 21163768
2-(2,5-Dimethylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 21163774
Methyl 2-[di(propan-2-yl)amino]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163778
5-Oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-7-carboxylic acid
CID 70572971
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
2-morpholin-4-yl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 53212657
2-azepan-1-yl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 53212659
N-(7-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-methylglycine
CID 53213241

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 53212654) is 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is CN(C)c1nn2c(C(=O)O)cc(=O)nc2s1.
What is the InChIKey of 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is FKLJSXZGHYWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-11(2)8-10-12-4(6(14)15)3-5(13)9-7(12)16-8/h3H,1-2H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid?
2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53212654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).