N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

C18H16FN3OS — CID 1451553

IUPACN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H16FN3OS/c1-3-22(17(23)14-6-4-12(2)5-7-14)18-21-20-16(24-18)13-8-10-15(19)11-9-13/h4-11H,3H2,1-2H3
InChIKeyHXFIJUKJWZPKJK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.32
Rot. Bonds4

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

N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide (PubChem CID 1451553) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
PubChem CID1451553
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H16FN3OS/c1-3-22(17(23)14-6-4-12(2)5-7-14)18-21-20-16(24-18)13-8-10-15(19)11-9-13/h4-11H,3H2,1-2H3
InChIKeyHXFIJUKJWZPKJK-UHFFFAOYSA-N
XLogP4.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide (CID 1451553) is N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide is CCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The InChIKey is HXFIJUKJWZPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-3-22(17(23)14-6-4-12(2)5-7-14)18-21-20-16(24-18)13-8-10-15(19)11-9-13/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 1451553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).