5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid

C8H9N3O4S — CID 102689026

IUPAC5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2nncs2)O1
InChIInChI=1S/C8H9N3O4S/c12-6(10-8-11-9-3-16-8)4-1-2-5(15-4)7(13)14/h3-5H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyRANFSZXPCSTJOE-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.11
Rot. Bonds3

About 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid

5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102689026) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102689026
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2nncs2)O1
InChIInChI=1S/C8H9N3O4S/c12-6(10-8-11-9-3-16-8)4-1-2-5(15-4)7(13)14/h3-5H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyRANFSZXPCSTJOE-UHFFFAOYSA-N
XLogP0.11
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2R,3S,4R)-3-(1,3,4-thiadiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124724510
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
3-(1,3,4-thiadiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 4230225
(2R,5S)-5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 126816631
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
(1S,6R)-3,4-dimethyl-6-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 27474525
(1R,6S)-3,4-dimethyl-6-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 27474537
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102689026) is 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2nncs2)O1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is RANFSZXPCSTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-6(10-8-11-9-3-16-8)4-1-2-5(15-4)7(13)14/h3-5H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102689026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).