2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

C8H9N5OS2 — CID 6471048

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1nncs1
InChIInChI=1S/C8H9N5OS2/c1-13-3-2-9-8(13)15-4-6(14)11-7-12-10-5-16-7/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyGXILIQFUHMDDMP-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.00
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6471048) has the molecular formula C8H9N5OS2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6471048
Molecular FormulaC8H9N5OS2
Molecular Weight255.33 g/mol
Exact Mass255.02
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1nncs1
InChIInChI=1S/C8H9N5OS2/c1-13-3-2-9-8(13)15-4-6(14)11-7-12-10-5-16-7/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyGXILIQFUHMDDMP-UHFFFAOYSA-N
XLogP1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 6471048) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is Cn1ccnc1SCC(=O)Nc1nncs1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GXILIQFUHMDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS2/c1-13-3-2-9-8(13)15-4-6(14)11-7-12-10-5-16-7/h2-3,5H,4H2,1H3,(H,11,12,14).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 255.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6471048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).