sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride

C14H14F4N3NaO2S — CID 173247368

IUPACsodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride
SMILESCC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C14H13F4N3O2S.Na.H/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18;;/h3-6,8H,7H2,1-2H3;;/q;+1;-1
InChIKeyOBLUWDWQTCBMOO-UHFFFAOYSA-N
MW387.33 g/mol
LogP0.63
Rot. Bonds5

About sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride

sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride (PubChem CID 173247368) has the molecular formula C14H14F4N3NaO2S and a molecular weight of 387.33 g/mol. Its IUPAC name is sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride.

Molecular Properties

Compound Namesodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride
PubChem CID173247368
Molecular FormulaC14H14F4N3NaO2S
Molecular Weight387.33 g/mol
Exact Mass387.06
IUPAC Namesodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride
SMILESCC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C14H13F4N3O2S.Na.H/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18;;/h3-6,8H,7H2,1-2H3;;/q;+1;-1
InChIKeyOBLUWDWQTCBMOO-UHFFFAOYSA-N
XLogP0.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride?
The IUPAC name of sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride (CID 173247368) is sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride.
What is the SMILES notation for sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride?
The canonical SMILES for sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride is CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1.[H-].[Na+].
What is the InChIKey of sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride?
The InChIKey is OBLUWDWQTCBMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O2S.Na.H/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18;;/h3-6,8H,7H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride?
sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride has a molecular weight of 387.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride is sourced from PubChem (CID 173247368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).