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

C11H12N4OS3 — CID 2355442

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H12N4OS3/c1-17-8-5-3-2-4-7(8)13-9(16)6-18-11-15-14-10(12)19-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyFYWMHEJMILGICP-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.57
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2355442) has the molecular formula C11H12N4OS3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2355442
Molecular FormulaC11H12N4OS3
Molecular Weight312.45 g/mol
Exact Mass312.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H12N4OS3/c1-17-8-5-3-2-4-7(8)13-9(16)6-18-11-15-14-10(12)19-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyFYWMHEJMILGICP-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (CID 2355442) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is FYWMHEJMILGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS3/c1-17-8-5-3-2-4-7(8)13-9(16)6-18-11-15-14-10(12)19-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 312.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2355442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).