N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine

C17H17N3S — CID 174505687

IUPACN-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine
SMILESCCc1ccccc1CNc1csc(-c2cnccn2)c1
InChIInChI=1S/C17H17N3S/c1-2-13-5-3-4-6-14(13)10-20-15-9-17(21-12-15)16-11-18-7-8-19-16/h3-9,11-12,20H,2,10H2,1H3
InChIKeyFXJATUWMQWOMIN-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.38
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine

N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine (PubChem CID 174505687) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine
PubChem CID174505687
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine
SMILESCCc1ccccc1CNc1csc(-c2cnccn2)c1
InChIInChI=1S/C17H17N3S/c1-2-13-5-3-4-6-14(13)10-20-15-9-17(21-12-15)16-11-18-7-8-19-16/h3-9,11-12,20H,2,10H2,1H3
InChIKeyFXJATUWMQWOMIN-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethyl-2-(thiophen-2-yl)quinoxaline
CID 677565
1-Methyl-4-(2-thiophen-3-yl-pyridin-4-yl)-piperazine
CID 25218146
1-thiophen-3-yl-9H-pyrido[3,4-b]indole
CID 44286020
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062
[3-(Dimethylamino)propyl][(3-methyl(2-thienyl))methyl](2-pyridylmethyl)amine
CID 25910602
4-(5-Phenyl-2-thiophen-2-yl-1H-pyrrol-3-yl)-pyridine
CID 44324151
4-[5-(1-Methyl-piperidin-4-yl)-2-thiophen-3-yl-1H-pyrrol-3-yl]-pyridine
CID 44399576
1-methyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906798
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
N-methyl-1-[4-(5-methylpyridin-2-yl)piperidin-4-yl]-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50972639
(R)-N-methyl-2-(3-(1-(pyrazin-2-yl)ethyl)-1H-inden-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 53322838
(3R)-N-methyl-1-(2-thiophen-3-yl-4-pyridinyl)pyrrolidin-3-amine
CID 118725538

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine (CID 174505687) is N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine is CCc1ccccc1CNc1csc(-c2cnccn2)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine?
The InChIKey is FXJATUWMQWOMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-13-5-3-4-6-14(13)10-20-15-9-17(21-12-15)16-11-18-7-8-19-16/h3-9,11-12,20H,2,10H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine?
N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine has a molecular weight of 295.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-pyrazin-2-ylthiophen-3-amine is sourced from PubChem (CID 174505687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).