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

C11H12N4OS — CID 659908

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide
SMILESNc1nnc(CC(=O)NCc2ccccc2)s1
InChIInChI=1S/C11H12N4OS/c12-11-15-14-10(17-11)6-9(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyDLRYJKDGSKAUPC-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.98
Rot. Bonds4

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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide (PubChem CID 659908) 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-benzylacetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide
PubChem CID659908
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide
SMILESNc1nnc(CC(=O)NCc2ccccc2)s1
InChIInChI=1S/C11H12N4OS/c12-11-15-14-10(17-11)6-9(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyDLRYJKDGSKAUPC-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.98
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-benzylacetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide (CID 659908) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide is Nc1nnc(CC(=O)NCc2ccccc2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide?
The InChIKey is DLRYJKDGSKAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-11-15-14-10(17-11)6-9(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-benzylacetamide has a molecular weight of 248.31 g/mol, XLogP of 0.98, 4 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-benzylacetamide is sourced from PubChem (CID 659908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).