5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid

C9H11N3O4S — CID 102689028

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C9H11N3O4S/c1-4-11-12-9(17-4)10-7(13)5-2-3-6(16-5)8(14)15/h5-6H,2-3H2,1H3,(H,14,15)(H,10,12,13)
InChIKeyGSUUOEKQINJQQR-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.42
Rot. Bonds3

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid

5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102689028) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102689028
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C9H11N3O4S/c1-4-11-12-9(17-4)10-7(13)5-2-3-6(16-5)8(14)15/h5-6H,2-3H2,1H3,(H,14,15)(H,10,12,13)
InChIKeyGSUUOEKQINJQQR-UHFFFAOYSA-N
XLogP0.42
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102689028) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is Cc1nnc(NC(=O)C2CCC(C(=O)O)O2)s1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is GSUUOEKQINJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-4-11-12-9(17-4)10-7(13)5-2-3-6(16-5)8(14)15/h5-6H,2-3H2,1H3,(H,14,15)(H,10,12,13).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102689028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).