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

C11H14F3N3O2S — CID 107304291

IUPAC2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CCCCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,18,19)(H,15,16,17)
InChIKeyANDVUGHCHMNFLA-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.00
Rot. Bonds4

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

2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304291) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304291
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CCCCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,18,19)(H,15,16,17)
InChIKeyANDVUGHCHMNFLA-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304291) is 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is O=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is ANDVUGHCHMNFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 309.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).