3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

C14H12ClN5O2S2 — CID 17344209

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCSc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1
InChIInChI=1S/C14H12ClN5O2S2/c1-23-14-19-18-13(24-14)16-10(21)6-7-11-17-12(20-22-11)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,16,18,21)
InChIKeyAYPYAVCZPZZBRU-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.53
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17344209) has the molecular formula C14H12ClN5O2S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17344209
Molecular FormulaC14H12ClN5O2S2
Molecular Weight381.87 g/mol
Exact Mass381.01
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCSc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1
InChIInChI=1S/C14H12ClN5O2S2/c1-23-14-19-18-13(24-14)16-10(21)6-7-11-17-12(20-22-11)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,16,18,21)
InChIKeyAYPYAVCZPZZBRU-UHFFFAOYSA-N
XLogP3.53
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide 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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55818368
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566411
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 9180330
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24622345
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18148953
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354611
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17344209) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is CSc1nnc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)s1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is AYPYAVCZPZZBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S2/c1-23-14-19-18-13(24-14)16-10(21)6-7-11-17-12(20-22-11)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,16,18,21).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 381.87 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17344209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).