N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

C11H11N3O2S — CID 811240

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C11H11N3O2S/c1-8-13-14-11(17-8)12-10(15)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyQOTPWRXOHMHZKU-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.86
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (PubChem CID 811240) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
PubChem CID811240
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C11H11N3O2S/c1-8-13-14-11(17-8)12-10(15)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyQOTPWRXOHMHZKU-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide 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

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 945206
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (CID 811240) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is Cc1nnc(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is QOTPWRXOHMHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8-13-14-11(17-8)12-10(15)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 249.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).