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

C8H8F3N3O3S — CID 107304378

IUPAC4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)6-13-7(18-14-6)12-4-2-17-1-3(4)5(15)16/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyKOSUVAGHWKVFJJ-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.07
Rot. Bonds3

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

4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid (PubChem CID 107304378) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid
PubChem CID107304378
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)6-13-7(18-14-6)12-4-2-17-1-3(4)5(15)16/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyKOSUVAGHWKVFJJ-UHFFFAOYSA-N
XLogP1.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66240895
N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304996
4-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
CID 66238504
3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304360
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305153
4-[(1-ethylimidazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66240502
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66240306
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 146471994
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66240706

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid (CID 107304378) is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid?
The InChIKey is KOSUVAGHWKVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)6-13-7(18-14-6)12-4-2-17-1-3(4)5(15)16/h3-4H,1-2H2,(H,15,16)(H,12,13,14).
What are the key properties of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid?
4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid has a molecular weight of 283.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107304378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).