N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide

C18H16FN3O2S — CID 7096047

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-11(2)24-15-9-5-12(6-10-15)16(23)20-18-22-21-17(25-18)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,22,23)
InChIKeyLFZUFRULWZGKHT-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 7096047) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide
PubChem CID7096047
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-11(2)24-15-9-5-12(6-10-15)16(23)20-18-22-21-17(25-18)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,22,23)
InChIKeyLFZUFRULWZGKHT-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide (CID 7096047) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is LFZUFRULWZGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(2)24-15-9-5-12(6-10-15)16(23)20-18-22-21-17(25-18)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7096047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).