5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine

C16H19N3S — CID 103059867

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C16H19N3S/c1-2-17-16-10-18-14(9-19-16)11-20-15-7-6-12-4-3-5-13(12)8-15/h6-10H,2-5,11H2,1H3,(H,17,19)
InChIKeyINBKUHWIAVPNJP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.69
Rot. Bonds5

About 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine (PubChem CID 103059867) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
PubChem CID103059867
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C16H19N3S/c1-2-17-16-10-18-14(9-19-16)11-20-15-7-6-12-4-3-5-13(12)8-15/h6-10H,2-5,11H2,1H3,(H,17,19)
InChIKeyINBKUHWIAVPNJP-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059924
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374031
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64807072
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]methanamine
CID 43530721
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
CID 80873809
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine (CID 103059867) is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine is CCNc1cnc(CSc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine?
The InChIKey is INBKUHWIAVPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-17-16-10-18-14(9-19-16)11-20-15-7-6-12-4-3-5-13(12)8-15/h6-10H,2-5,11H2,1H3,(H,17,19).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine?
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).