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

C19H16FN3OS — CID 58390887

IUPACN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide
SMILESC=Cc1ccc(-c2nnc(N(CC)C(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C19H16FN3OS/c1-3-13-9-11-14(12-10-13)17-21-22-19(25-17)23(4-2)18(24)15-7-5-6-8-16(15)20/h3,5-12H,1,4H2,2H3
InChIKeyKFUVCJQWEVUSNV-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.65
Rot. Bonds5

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

N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide (PubChem CID 58390887) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide
PubChem CID58390887
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC NameN-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide
SMILESC=Cc1ccc(-c2nnc(N(CC)C(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C19H16FN3OS/c1-3-13-9-11-14(12-10-13)17-21-22-19(25-17)23(4-2)18(24)15-7-5-6-8-16(15)20/h3,5-12H,1,4H2,2H3
InChIKeyKFUVCJQWEVUSNV-UHFFFAOYSA-N
XLogP4.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide (CID 58390887) is N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide is C=Cc1ccc(-c2nnc(N(CC)C(=O)c3ccccc3F)s2)cc1.
What is the InChIKey of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The InChIKey is KFUVCJQWEVUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-3-13-9-11-14(12-10-13)17-21-22-19(25-17)23(4-2)18(24)15-7-5-6-8-16(15)20/h3,5-12H,1,4H2,2H3.
What are the key properties of N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide?
N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide has a molecular weight of 353.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethenylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 58390887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).