N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide

C13H14FN3O2S — CID 665663

IUPACN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
SMILESCCOCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3O2S/c1-2-19-7-6-11-16-17-13(20-11)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyLGWLBJLLHABTAJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.51
Rot. Bonds6

About N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide (PubChem CID 665663) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
PubChem CID665663
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
SMILESCCOCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3O2S/c1-2-19-7-6-11-16-17-13(20-11)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyLGWLBJLLHABTAJ-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide (CID 665663) is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide is CCOCCc1nnc(NC(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide?
The InChIKey is LGWLBJLLHABTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-2-19-7-6-11-16-17-13(20-11)15-12(18)9-4-3-5-10(14)8-9/h3-5,8H,2,6-7H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide?
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 665663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).