[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C16H17F2N3O4S — CID 8668069

IUPAC[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2N3O4S/c1-2-12-14(26-21-20-12)15(23)24-9-13(22)19-8-7-10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,2,7-9H2,1H3,(H,19,22)
InChIKeyGUKCGWHRZNRHLX-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.22
Rot. Bonds9

About [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8668069) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8668069
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2N3O4S/c1-2-12-14(26-21-20-12)15(23)24-9-13(22)19-8-7-10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,2,7-9H2,1H3,(H,19,22)
InChIKeyGUKCGWHRZNRHLX-UHFFFAOYSA-N
XLogP2.22
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8668069) is [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is GUKCGWHRZNRHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-2-12-14(26-21-20-12)15(23)24-9-13(22)19-8-7-10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,2,7-9H2,1H3,(H,19,22).
What are the key properties of [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 385.39 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8668069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).