2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C8H9N5OS — CID 557400

IUPAC2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2ccnc2)s1
InChIInChI=1S/C8H9N5OS/c1-6-11-12-8(15-6)10-7(14)4-13-3-2-9-5-13/h2-3,5H,4H2,1H3,(H,10,12,14)
InChIKeyUQWUGTLZLJEOQK-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.68
Rot. Bonds3

About 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 557400) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID557400
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2ccnc2)s1
InChIInChI=1S/C8H9N5OS/c1-6-11-12-8(15-6)10-7(14)4-13-3-2-9-5-13/h2-3,5H,4H2,1H3,(H,10,12,14)
InChIKeyUQWUGTLZLJEOQK-UHFFFAOYSA-N
XLogP0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 557400) is 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2ccnc2)s1.
What is the InChIKey of 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UQWUGTLZLJEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-6-11-12-8(15-6)10-7(14)4-13-3-2-9-5-13/h2-3,5H,4H2,1H3,(H,10,12,14).
What are the key properties of 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 223.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 557400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).