ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate

C10H14F3N3O2S — CID 107305866

IUPACethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
SMILESCCOC(=O)CN(c1nc(C(F)(F)F)ns1)C(C)C
InChIInChI=1S/C10H14F3N3O2S/c1-4-18-7(17)5-16(6(2)3)9-14-8(15-19-9)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyFGXCPNLSWJPODH-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate

ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate (PubChem CID 107305866) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
PubChem CID107305866
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Nameethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
SMILESCCOC(=O)CN(c1nc(C(F)(F)F)ns1)C(C)C
InChIInChI=1S/C10H14F3N3O2S/c1-4-18-7(17)5-16(6(2)3)9-14-8(15-19-9)10(11,12)13/h6H,4-5H2,1-3H3
InChIKeyFGXCPNLSWJPODH-UHFFFAOYSA-N
XLogP2.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 14749035
Ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19019766
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304281
2-[Butan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304282
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304288
2-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304301
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304318
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanoic acid
CID 107304324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate (CID 107305866) is ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate is CCOC(=O)CN(c1nc(C(F)(F)F)ns1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
The InChIKey is FGXCPNLSWJPODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-4-18-7(17)5-16(6(2)3)9-14-8(15-19-9)10(11,12)13/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate?
ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate has a molecular weight of 297.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate is sourced from PubChem (CID 107305866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).