4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide

C14H14F3N3O2S — CID 30548592

IUPAC4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2S/c1-2-11-12(23-20-19-11)13(21)18-7-9-3-5-10(6-4-9)22-8-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyZESOPYUCNLIFBP-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.97
Rot. Bonds6

About 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 30548592) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID30548592
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O2S/c1-2-11-12(23-20-19-11)13(21)18-7-9-3-5-10(6-4-9)22-8-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyZESOPYUCNLIFBP-UHFFFAOYSA-N
XLogP2.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide (CID 30548592) is 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is ZESOPYUCNLIFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-2-11-12(23-20-19-11)13(21)18-7-9-3-5-10(6-4-9)22-8-14(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,21).
What are the key properties of 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 30548592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).