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

C10H14F3N3O2S — CID 107305862

IUPACmethyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
SMILESCCCC(C)(Nc1nc(C(F)(F)F)ns1)C(=O)OC
InChIInChI=1S/C10H14F3N3O2S/c1-4-5-9(2,7(17)18-3)15-8-14-6(16-19-8)10(11,12)13/h4-5H2,1-3H3,(H,14,15,16)
InChIKeyJDUBCEDJDWBPPV-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.70
Rot. Bonds5

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

methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate (PubChem CID 107305862) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
PubChem CID107305862
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Namemethyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate
SMILESCCCC(C)(Nc1nc(C(F)(F)F)ns1)C(=O)OC
InChIInChI=1S/C10H14F3N3O2S/c1-4-5-9(2,7(17)18-3)15-8-14-6(16-19-8)10(11,12)13/h4-5H2,1-3H3,(H,14,15,16)
InChIKeyJDUBCEDJDWBPPV-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate (CID 107305862) is methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate is CCCC(C)(Nc1nc(C(F)(F)F)ns1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate?
The InChIKey is JDUBCEDJDWBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-4-5-9(2,7(17)18-3)15-8-14-6(16-19-8)10(11,12)13/h4-5H2,1-3H3,(H,14,15,16).
What are the key properties of methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate?
methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate has a molecular weight of 297.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentanoate is sourced from PubChem (CID 107305862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).