2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide

C12H13N5OS — CID 2772756

IUPAC2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
SMILESCCn1c2ccccc2n2c(SCC(N)=O)nnc12
InChIInChI=1S/C12H13N5OS/c1-2-16-8-5-3-4-6-9(8)17-11(16)14-15-12(17)19-7-10(13)18/h3-6H,2,7H2,1H3,(H2,13,18)
InChIKeyKOKFKKFUIMYODQ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide

2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide (PubChem CID 2772756) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
PubChem CID2772756
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
SMILESCCn1c2ccccc2n2c(SCC(N)=O)nnc12
InChIInChI=1S/C12H13N5OS/c1-2-16-8-5-3-4-6-9(8)17-11(16)14-15-12(17)19-7-10(13)18/h3-6H,2,7H2,1H3,(H2,13,18)
InChIKeyKOKFKKFUIMYODQ-UHFFFAOYSA-N
XLogP1.28
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-1-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21226813
ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
CID 72697755
3-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 26487114
1-(2-oxopropylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493344
butyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
CID 72697758
2-[(4-propyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid
CID 91927559
N-cyclopentyl-2-[(8-ethyl-1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,12,14-hexaen-12-yl)sulfanyl]acetamide
CID 2772861
1-(2,6-dimethylpiperidin-1-yl)-2-(1-ethylsulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl)ethanone
CID 4582644
ethyl 2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetate
CID 1429272
2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
CID 82167476
3-(4-chlorophenyl)-5-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 2772910
2-[(4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 1457718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide (CID 2772756) is 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide is CCn1c2ccccc2n2c(SCC(N)=O)nnc12.
What is the InChIKey of 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide?
The InChIKey is KOKFKKFUIMYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-16-8-5-3-4-6-9(8)17-11(16)14-15-12(17)19-7-10(13)18/h3-6H,2,7H2,1H3,(H2,13,18).
What are the key properties of 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide?
2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide has a molecular weight of 275.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 2772756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).