2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C18H17N3O2S — CID 5082553

IUPAC2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(-c3ccccc3C)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-4-6-15(12)17-20-21-18(24-17)19-16(22)11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyLTGBYDAMJNMNNI-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.70
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 5082553) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID5082553
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(-c3ccccc3C)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-4-6-15(12)17-20-21-18(24-17)19-16(22)11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyLTGBYDAMJNMNNI-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 5082553) is 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nnc(-c3ccccc3C)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LTGBYDAMJNMNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-5-3-4-6-15(12)17-20-21-18(24-17)19-16(22)11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 5082553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).