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

C8H10F3N3O2S — CID 107304323

IUPAC2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
SMILESCN(c1nc(C(F)(F)F)ns1)C(C)(C)C(=O)O
InChIInChI=1S/C8H10F3N3O2S/c1-7(2,5(15)16)14(3)6-12-4(13-17-6)8(9,10)11/h1-3H3,(H,15,16)
InChIKeyLDNNOTUXNZWNFP-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.86
Rot. Bonds3

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

2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid (PubChem CID 107304323) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
PubChem CID107304323
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
SMILESCN(c1nc(C(F)(F)F)ns1)C(C)(C)C(=O)O
InChIInChI=1S/C8H10F3N3O2S/c1-7(2,5(15)16)14(3)6-12-4(13-17-6)8(9,10)11/h1-3H3,(H,15,16)
InChIKeyLDNNOTUXNZWNFP-UHFFFAOYSA-N
XLogP1.86
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3,3,3-Trifluoro-2-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 79798118
3,3,3-Trifluoro-2-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 79798290
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798532
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798989
3,3,3-Trifluoro-2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 79799268
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304255
2-[Cyclopropylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid (CID 107304323) is 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid is CN(c1nc(C(F)(F)F)ns1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The InChIKey is LDNNOTUXNZWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-7(2,5(15)16)14(3)6-12-4(13-17-6)8(9,10)11/h1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid has a molecular weight of 269.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid is sourced from PubChem (CID 107304323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).