N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C15H15N5OS2 — CID 3240758

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1
InChIInChI=1S/C15H15N5OS2/c1-2-13-18-19-14(23-13)17-12(21)10-22-15-16-8-9-20(15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19,21)
InChIKeyCOGAIJHTAOITEZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.02
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 3240758) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID3240758
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1
InChIInChI=1S/C15H15N5OS2/c1-2-13-18-19-14(23-13)17-12(21)10-22-15-16-8-9-20(15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19,21)
InChIKeyCOGAIJHTAOITEZ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
CID 2816029
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-N-phenyl-acetamide
CID 3142098
2-{4-Cyclohexyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649617
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
2-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974207
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2150627
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-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6470620
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
CID 7150995

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 3240758) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is CCc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is COGAIJHTAOITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-2-13-18-19-14(23-13)17-12(21)10-22-15-16-8-9-20(15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3240758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).