1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

C16H15F3N4OS — CID 2503309

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCCc1cccc2c(C(=O)CSc3nnc(C(F)(F)F)n3C)c[nH]c12
InChIInChI=1S/C16H15F3N4OS/c1-3-9-5-4-6-10-11(7-20-13(9)10)12(24)8-25-15-22-21-14(23(15)2)16(17,18)19/h4-7,20H,3,8H2,1-2H3
InChIKeyRSOBVVQYEQENHA-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.85
Rot. Bonds5

About 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (PubChem CID 2503309) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
PubChem CID2503309
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILESCCc1cccc2c(C(=O)CSc3nnc(C(F)(F)F)n3C)c[nH]c12
InChIInChI=1S/C16H15F3N4OS/c1-3-9-5-4-6-10-11(7-20-13(9)10)12(24)8-25-15-22-21-14(23(15)2)16(17,18)19/h4-7,20H,3,8H2,1-2H3
InChIKeyRSOBVVQYEQENHA-UHFFFAOYSA-N
XLogP3.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone with MolForge

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Related Compounds

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 4821281
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 7660911
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 2453671
1-(7-ethyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4814255
4-butyl-1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16516932
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 17486915
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 17393627
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
1-(1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 42888242
1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 2746703
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 2475124

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone (CID 2503309) is 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is CCc1cccc2c(C(=O)CSc3nnc(C(F)(F)F)n3C)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
The InChIKey is RSOBVVQYEQENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-3-9-5-4-6-10-11(7-20-13(9)10)12(24)8-25-15-22-21-14(23(15)2)16(17,18)19/h4-7,20H,3,8H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone?
1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone has a molecular weight of 368.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone is sourced from PubChem (CID 2503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).