N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H11N3OS3 — CID 7499720

IUPACN-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nncs2)c1
InChIInChI=1S/C11H11N3OS3/c1-16-9-4-2-3-8(5-9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyXJALVPFYGPOJGH-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.99
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 7499720) has the molecular formula C11H11N3OS3 and a molecular weight of 297.43 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID7499720
Molecular FormulaC11H11N3OS3
Molecular Weight297.43 g/mol
Exact Mass297.01
IUPAC NameN-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nncs2)c1
InChIInChI=1S/C11H11N3OS3/c1-16-9-4-2-3-8(5-9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyXJALVPFYGPOJGH-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 7795978
N-(3-methylsulfanylphenyl)-2-[[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 167944282
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 22110936
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 2685094

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 7499720) is N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CSc1cccc(NC(=O)CSc2nncs2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is XJALVPFYGPOJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS3/c1-16-9-4-2-3-8(5-9)13-10(15)6-17-11-14-12-7-18-11/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 297.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 7499720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).