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

C8H10F3N3O3S — CID 107304301

IUPAC2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESCOCCN(CC(=O)O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3O3S/c1-17-3-2-14(4-5(15)16)7-12-6(13-18-7)8(9,10)11/h2-4H2,1H3,(H,15,16)
InChIKeyKNVUXVLFPZKNSY-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.09
Rot. Bonds6

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

2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304301) has the molecular formula C8H10F3N3O3S and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304301
Molecular FormulaC8H10F3N3O3S
Molecular Weight285.25 g/mol
Exact Mass285.04
IUPAC Name2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESCOCCN(CC(=O)O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3N3O3S/c1-17-3-2-14(4-5(15)16)7-12-6(13-18-7)8(9,10)11/h2-4H2,1H3,(H,15,16)
InChIKeyKNVUXVLFPZKNSY-UHFFFAOYSA-N
XLogP1.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 14749035
Ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19019766
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258161
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258651
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304255
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetic acid
CID 107304271
2-[Cyclopropylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304274
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304281

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304301) is 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is COCCN(CC(=O)O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is KNVUXVLFPZKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3S/c1-17-3-2-14(4-5(15)16)7-12-6(13-18-7)8(9,10)11/h2-4H2,1H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 285.25 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).