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

C13H15N3O2S3 — CID 1259153

IUPACN-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(SC)ns1
InChIInChI=1S/C13H15N3O2S3/c1-8-4-5-10(18-2)9(6-8)14-11(17)7-20-13-15-12(19-3)16-21-13/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyJVKJYQXRJALFNE-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.31
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 1259153) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID1259153
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(SC)ns1
InChIInChI=1S/C13H15N3O2S3/c1-8-4-5-10(18-2)9(6-8)14-11(17)7-20-13-15-12(19-3)16-21-13/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyJVKJYQXRJALFNE-UHFFFAOYSA-N
XLogP3.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1976598
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-methoxy-phenyl)-urea
CID 3779520
N-(2,4-Dimethoxy-phenyl)-2-(3-methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-acetamide
CID 6492792
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 5204458
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-acetamide
CID 3228982
2-((3-((2-(2-Methoxyanilino)-2-oxoethyl)sulfanyl)-1,2,4-thiadiazol-5-YL)sulfanyl)-N-(2-methoxyphenyl)acetamide
CID 2887155
2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-phenylacetamide
CID 3296613
N-(2-methoxy-5-methylphenyl)-2-({7-oxo-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
CID 135915582
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810
N-(3-fluorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 3701243
N-(4-fluorophenyl)-2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119433

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 1259153) is N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nc(SC)ns1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is JVKJYQXRJALFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-8-4-5-10(18-2)9(6-8)14-11(17)7-20-13-15-12(19-3)16-21-13/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 1259153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).