5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H10N4O4S — CID 107642750

IUPAC5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)C2CC(C(=O)O)=NO2)s1
InChIInChI=1S/C9H10N4O4S/c1-2-6-11-12-9(18-6)10-7(14)5-3-4(8(15)16)13-17-5/h5H,2-3H2,1H3,(H,15,16)(H,10,12,14)
InChIKeyJTLHYLSQCXBEIJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.27
Rot. Bonds4

About 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107642750) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107642750
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)C2CC(C(=O)O)=NO2)s1
InChIInChI=1S/C9H10N4O4S/c1-2-6-11-12-9(18-6)10-7(14)5-3-4(8(15)16)13-17-5/h5H,2-3H2,1H3,(H,15,16)(H,10,12,14)
InChIKeyJTLHYLSQCXBEIJ-UHFFFAOYSA-N
XLogP0.27
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid with MolForge

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Related Compounds

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427469
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
5-(1-methylsulfanylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427545
(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7274307
6-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4907284
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154837433
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 129414179
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107642750) is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCc1nnc(NC(=O)C2CC(C(=O)O)=NO2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is JTLHYLSQCXBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c1-2-6-11-12-9(18-6)10-7(14)5-3-4(8(15)16)13-17-5/h5H,2-3H2,1H3,(H,15,16)(H,10,12,14).
What are the key properties of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107642750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).