N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H16FN3O2S — CID 1451682

IUPACN-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C18H16FN3O2S/c1-3-22(17(23)14-6-4-5-7-15(14)19)18-21-20-16(25-18)12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3
InChIKeyBBFYAVNQIYQIGQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.02
Rot. Bonds5

About N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1451682) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1451682
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C18H16FN3O2S/c1-3-22(17(23)14-6-4-5-7-15(14)19)18-21-20-16(25-18)12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3
InChIKeyBBFYAVNQIYQIGQ-UHFFFAOYSA-N
XLogP4.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1451682) is N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BBFYAVNQIYQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-3-22(17(23)14-6-4-5-7-15(14)19)18-21-20-16(25-18)12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1451682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).