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

C13H15N3O2S3 — CID 6457568

IUPACN-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(SC)ns2)cc1
InChIInChI=1S/C13H15N3O2S3/c1-18-10-5-3-9(4-6-10)7-14-11(17)8-20-13-15-12(19-2)16-21-13/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyKWYFCTVARVVLLN-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.68
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 6457568) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID6457568
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(SC)ns2)cc1
InChIInChI=1S/C13H15N3O2S3/c1-18-10-5-3-9(4-6-10)7-14-11(17)8-20-13-15-12(19-2)16-21-13/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyKWYFCTVARVVLLN-UHFFFAOYSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 5067097
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4843293
Ethyl 2-[[2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]acetate
CID 7119438
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-benzyl)-acetamide
CID 647977
N-[(4-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2346981
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2339494
N-(4-Methoxy-benzyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645508
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3296605
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3150891
2-((3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-1-(piperidin-1-yl)ethanone
CID 3296606
2-[3-(p-Methoxyphenyl)-1,2,4-thiadiazol-5-ylthio]-1-morpholino-1-ethanone
CID 3296608
N-cyclohexyl-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 5067091

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 6457568) is N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is COc1ccc(CNC(=O)CSc2nc(SC)ns2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is KWYFCTVARVVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-18-10-5-3-9(4-6-10)7-14-11(17)8-20-13-15-12(19-2)16-21-13/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 6457568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).