5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine

C16H20ClN3S — CID 66065811

IUPAC5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCCNC(CSc1ccc(C)cc1)c1cc(Cl)cnc1N
InChIInChI=1S/C16H20ClN3S/c1-3-19-15(14-8-12(17)9-20-16(14)18)10-21-13-6-4-11(2)5-7-13/h4-9,15,19H,3,10H2,1-2H3,(H2,18,20)
InChIKeyHZCUXQSCFOLHQF-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.07
Rot. Bonds6

About 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine

5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine (PubChem CID 66065811) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
PubChem CID66065811
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCCNC(CSc1ccc(C)cc1)c1cc(Cl)cnc1N
InChIInChI=1S/C16H20ClN3S/c1-3-19-15(14-8-12(17)9-20-16(14)18)10-21-13-6-4-11(2)5-7-13/h4-9,15,19H,3,10H2,1-2H3,(H2,18,20)
InChIKeyHZCUXQSCFOLHQF-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 114656151
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine (CID 66065811) is 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine is CCNC(CSc1ccc(C)cc1)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The InChIKey is HZCUXQSCFOLHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-3-19-15(14-8-12(17)9-20-16(14)18)10-21-13-6-4-11(2)5-7-13/h4-9,15,19H,3,10H2,1-2H3,(H2,18,20).
What are the key properties of 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine has a molecular weight of 321.88 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine is sourced from PubChem (CID 66065811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).