N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

C19H19N3O2S — CID 1077842

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-16-10-7-15(8-11-16)13-18-21-22-19(25-18)20-17(23)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,20,22,23)
InChIKeyZZFOPXIKUTVHJB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.71
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (PubChem CID 1077842) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
PubChem CID1077842
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(Cc2nnc(NC(=O)CCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-16-10-7-15(8-11-16)13-18-21-22-19(25-18)20-17(23)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,20,22,23)
InChIKeyZZFOPXIKUTVHJB-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide 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-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CID 1077842) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is COc1ccc(Cc2nnc(NC(=O)CCc3ccccc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The InChIKey is ZZFOPXIKUTVHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-16-10-7-15(8-11-16)13-18-21-22-19(25-18)20-17(23)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 1077842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).