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

C15H15N5OS2 — CID 7150995

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2Cc2ccccc2)s1
InChIInChI=1S/C15H15N5OS2/c1-11-18-19-14(23-11)17-13(21)10-22-15-16-7-8-20(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,19,21)
InChIKeyYANVLEDCDFYZII-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.82
Rot. Bonds6

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

2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7150995) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7150995
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2Cc2ccccc2)s1
InChIInChI=1S/C15H15N5OS2/c1-11-18-19-14(23-11)17-13(21)10-22-15-16-7-8-20(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,19,21)
InChIKeyYANVLEDCDFYZII-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 865398
2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 1815686
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336906
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide
CID 3236954
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4151821
2-((1-(4-fluorobenzyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7151020
N-benzyl-5-[[(3R)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazole-2-carboxamide
CID 155547026
2-(4-Benzyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451210
2-((1-(3-chlorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4079249

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7150995) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nccn2Cc2ccccc2)s1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YANVLEDCDFYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-11-18-19-14(23-11)17-13(21)10-22-15-16-7-8-20(15)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,17,19,21).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7150995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).