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

C13H15N3OS3 — CID 7629975

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1nnc(SCC(=O)NCCSc2ccccc2)s1
InChIInChI=1S/C13H15N3OS3/c1-10-15-16-13(20-10)19-9-12(17)14-7-8-18-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,14,17)
InChIKeyADBKWURRAMEJQD-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.85
Rot. Bonds7

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 7629975) has the molecular formula C13H15N3OS3 and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID7629975
Molecular FormulaC13H15N3OS3
Molecular Weight325.48 g/mol
Exact Mass325.04
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1nnc(SCC(=O)NCCSc2ccccc2)s1
InChIInChI=1S/C13H15N3OS3/c1-10-15-16-13(20-10)19-9-12(17)14-7-8-18-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,14,17)
InChIKeyADBKWURRAMEJQD-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide (CID 7629975) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide is Cc1nnc(SCC(=O)NCCSc2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is ADBKWURRAMEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS3/c1-10-15-16-13(20-10)19-9-12(17)14-7-8-18-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,14,17).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 325.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 7629975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).