3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

C19H18FN3OS — CID 1444804

IUPAC3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-3-10-23(18(24)15-8-5-9-16(20)12-15)19-22-21-17(25-19)14-7-4-6-13(2)11-14/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJBZNNYKTJYUZIZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.71
Rot. Bonds5

About 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide

3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (PubChem CID 1444804) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
PubChem CID1444804
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C19H18FN3OS/c1-3-10-23(18(24)15-8-5-9-16(20)12-15)19-22-21-17(25-19)14-7-4-6-13(2)11-14/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJBZNNYKTJYUZIZ-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide 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 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The IUPAC name of 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide (CID 1444804) is 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is CCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
The InChIKey is JBZNNYKTJYUZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-3-10-23(18(24)15-8-5-9-16(20)12-15)19-22-21-17(25-19)14-7-4-6-13(2)11-14/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide?
3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 1444804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).