2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C9H11N5OS3 — CID 25250353

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nnc(NC(=O)CSc2nccn2C)s1
InChIInChI=1S/C9H11N5OS3/c1-14-4-3-10-8(14)17-5-6(15)11-7-12-13-9(16-2)18-7/h3-4H,5H2,1-2H3,(H,11,12,15)
InChIKeyWFRXBWOWSCCCLO-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.72
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 25250353) has the molecular formula C9H11N5OS3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID25250353
Molecular FormulaC9H11N5OS3
Molecular Weight301.42 g/mol
Exact Mass301.01
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nnc(NC(=O)CSc2nccn2C)s1
InChIInChI=1S/C9H11N5OS3/c1-14-4-3-10-8(14)17-5-6(15)11-7-12-13-9(16-2)18-7/h3-4H,5H2,1-2H3,(H,11,12,15)
InChIKeyWFRXBWOWSCCCLO-UHFFFAOYSA-N
XLogP1.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 593328
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
methyl 5-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 19727779
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3125635
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 25250353) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CSc1nnc(NC(=O)CSc2nccn2C)s1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WFRXBWOWSCCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS3/c1-14-4-3-10-8(14)17-5-6(15)11-7-12-13-9(16-2)18-7/h3-4H,5H2,1-2H3,(H,11,12,15).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 25250353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).