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

C8H10N4O4S — CID 64890441

IUPAC3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(Nc1nncs1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C8H10N4O4S/c13-5(14)8(1-2-16-3-8)11-6(15)10-7-12-9-4-17-7/h4H,1-3H2,(H,13,14)(H2,10,11,12,15)
InChIKeyFIMRFGVKCWFXOV-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.10
Rot. Bonds3

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

3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64890441) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64890441
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(Nc1nncs1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C8H10N4O4S/c13-5(14)8(1-2-16-3-8)11-6(15)10-7-12-9-4-17-7/h4H,1-3H2,(H,13,14)(H2,10,11,12,15)
InChIKeyFIMRFGVKCWFXOV-UHFFFAOYSA-N
XLogP-0.10
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromo-3-pyridinyl)carbamoylamino]oxolane-3-carboxylic acid
CID 114222535
3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893085
3-[(5-bromo-2-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64891642
3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 106303831
3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
CID 64888452
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
3-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893712
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 64890441) is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid is O=C(Nc1nncs1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is FIMRFGVKCWFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4S/c13-5(14)8(1-2-16-3-8)11-6(15)10-7-12-9-4-17-7/h4H,1-3H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 258.26 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64890441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).