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

C11H12N4OS2 — CID 711117

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C11H12N4OS2/c1-7-3-2-4-8(5-7)13-9(16)6-17-11-15-14-10(12)18-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyBQCCVHSSFCHRHZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.16
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 711117) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID711117
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C11H12N4OS2/c1-7-3-2-4-8(5-7)13-9(16)6-17-11-15-14-10(12)18-11/h2-5H,6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyBQCCVHSSFCHRHZ-UHFFFAOYSA-N
XLogP2.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CID 711117) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nnc(N)s2)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is BQCCVHSSFCHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-7-3-2-4-8(5-7)13-9(16)6-17-11-15-14-10(12)18-11/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-(3-methylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 280.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 711117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).