2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

C14H16ClN3OS2 — CID 90647333

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)CSCc2ccccc2Cl)s1
InChIInChI=1S/C14H16ClN3OS2/c1-10-17-18-14(21-10)6-7-16-13(19)9-20-8-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyUSRVFODQPWWFDT-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.09
Rot. Bonds7

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 90647333) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID90647333
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)CSCc2ccccc2Cl)s1
InChIInChI=1S/C14H16ClN3OS2/c1-10-17-18-14(21-10)6-7-16-13(19)9-20-8-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,16,19)
InChIKeyUSRVFODQPWWFDT-UHFFFAOYSA-N
XLogP3.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]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-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9210377
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941071
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 103992259
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126033785
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2279724
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 90647333) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is Cc1nnc(CCNC(=O)CSCc2ccccc2Cl)s1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The InChIKey is USRVFODQPWWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-10-17-18-14(21-10)6-7-16-13(19)9-20-8-11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,16,19).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 341.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 90647333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).