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

C11H12N4OS — CID 929314

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nnc(N)s1
InChIInChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)13-9(16)6-10-14-15-11(12)17-10/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeySRGGRIMTHSWPID-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds3

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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide (PubChem CID 929314) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide
PubChem CID929314
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nnc(N)s1
InChIInChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)13-9(16)6-10-14-15-11(12)17-10/h2-5H,6H2,1H3,(H2,12,15)(H,13,16)
InChIKeySRGGRIMTHSWPID-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide (CID 929314) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nnc(N)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is SRGGRIMTHSWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-4-2-3-5-8(7)13-9(16)6-10-14-15-11(12)17-10/h2-5H,6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 929314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).