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

C10H12F3N3O2S — CID 107304431

IUPAC1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H12F3N3O2S/c1-9(7(17)18)4-2-3-5(9)14-8-15-6(16-19-8)10(11,12)13/h5H,2-4H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXUEMMMDBILBCQD-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.61
Rot. Bonds3

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

1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 107304431) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID107304431
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H12F3N3O2S/c1-9(7(17)18)4-2-3-5(9)14-8-15-6(16-19-8)10(11,12)13/h5H,2-4H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyXUEMMMDBILBCQD-UHFFFAOYSA-N
XLogP2.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1R,2S)-2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclopentane-1-carboxylic acid
CID 164636950
cis-(1R,3S)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
CID 106322077
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]hexanoic acid
CID 107304269
4-Ethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]hexanoic acid
CID 107304351
4-[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]heptanoic acid
CID 107304352
5-Methyl-4-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]hexanoic acid
CID 107304353
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
CID 107304362
2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentanoic acid
CID 107304366
4,4-Dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]hexanoic acid
CID 107304369
2-Methyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]heptanoic acid
CID 107304370
5-Methyl-3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexanoic acid
CID 107304372
2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107304375

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid (CID 107304431) is 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XUEMMMDBILBCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-9(7(17)18)4-2-3-5(9)14-8-15-6(16-19-8)10(11,12)13/h5H,2-4H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107304431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).