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

C13H15N3O3S3 — CID 6492792

IUPACN-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(SC)ns2)c(OC)c1
InChIInChI=1S/C13H15N3O3S3/c1-18-8-4-5-9(10(6-8)19-2)14-11(17)7-21-13-15-12(20-3)16-22-13/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyBMIVECMEJHPBBA-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.01
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 6492792) has the molecular formula C13H15N3O3S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID6492792
Molecular FormulaC13H15N3O3S3
Molecular Weight357.48 g/mol
Exact Mass357.03
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(SC)ns2)c(OC)c1
InChIInChI=1S/C13H15N3O3S3/c1-18-8-4-5-9(10(6-8)19-2)14-11(17)7-21-13-15-12(20-3)16-22-13/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyBMIVECMEJHPBBA-UHFFFAOYSA-N
XLogP3.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 796220
N-(2-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1976598
4-[(2-{[3-(Methylthio)-1,2,4-thiadiazol-5-yl]thio}acetyl)amino]phenyl acetate
CID 2982240
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-methoxy-phenyl)-urea
CID 3779520
N-(2-methoxy-5-methylphenyl)-2-{[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}acetamide
CID 1259153
2-[[3-(Methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester
CID 2973241
N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 5204458
N-(2,4-dimethoxyphenyl)-2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135410831
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1440805
N-(2,4-Dimethoxy-phenyl)-2-[1-(2-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1147132
2-((3-((2-(2-Methoxyanilino)-2-oxoethyl)sulfanyl)-1,2,4-thiadiazol-5-YL)sulfanyl)-N-(2-methoxyphenyl)acetamide
CID 2887155
N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1018661

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 6492792) is N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(SC)ns2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is BMIVECMEJHPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S3/c1-18-8-4-5-9(10(6-8)19-2)14-11(17)7-21-13-15-12(20-3)16-22-13/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 6492792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).