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

C11H14F3N3O2S — CID 107304361

IUPAC2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCCCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-15-9(20-17-8)16-10(6-7(18)19)4-2-1-3-5-10/h1-6H2,(H,18,19)(H,15,16,17)
InChIKeyAMYNARXPCLJFJW-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.15
Rot. Bonds4

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

2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid (PubChem CID 107304361) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid
PubChem CID107304361
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCCCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-15-9(20-17-8)16-10(6-7(18)19)4-2-1-3-5-10/h1-6H2,(H,18,19)(H,15,16,17)
InChIKeyAMYNARXPCLJFJW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid (CID 107304361) is 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid is O=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCCCC1.
What is the InChIKey of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid?
The InChIKey is AMYNARXPCLJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)8-15-9(20-17-8)16-10(6-7(18)19)4-2-1-3-5-10/h1-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid?
2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid has a molecular weight of 309.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 107304361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).