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

C12H13N3O2S3 — CID 5204458

IUPACN-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(SC)ns2)cc1
InChIInChI=1S/C12H13N3O2S3/c1-17-9-5-3-8(4-6-9)13-10(16)7-19-12-14-11(18-2)15-20-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyITFXRGLPMSKVAU-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.00
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 5204458) has the molecular formula C12H13N3O2S3 and a molecular weight of 327.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID5204458
Molecular FormulaC12H13N3O2S3
Molecular Weight327.46 g/mol
Exact Mass327.02
IUPAC NameN-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(SC)ns2)cc1
InChIInChI=1S/C12H13N3O2S3/c1-17-9-5-3-8(4-6-9)13-10(16)7-19-12-14-11(18-2)15-20-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyITFXRGLPMSKVAU-UHFFFAOYSA-N
XLogP3.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-tert-Butylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-methoxy-phenyl)-urea
CID 24746846
Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
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
1-(3-Methoxy-phenyl)-3-(3-methylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 6487405
N-(2,4-Dimethoxy-phenyl)-2-(3-methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-acetamide
CID 6492792
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxyphenyl)acetamide
CID 698766

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 5204458) is N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc(SC)ns2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is ITFXRGLPMSKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S3/c1-17-9-5-3-8(4-6-9)13-10(16)7-19-12-14-11(18-2)15-20-12/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 327.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 5204458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).