N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline

C15H20N2S2 — CID 63752779

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H20N2S2/c1-5-18-14-9-7-6-8-13(14)17-11(3)15-10(2)16-12(4)19-15/h6-9,11,17H,5H2,1-4H3
InChIKeyNQAYLXIHUPBDKH-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline (PubChem CID 63752779) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
PubChem CID63752779
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C15H20N2S2/c1-5-18-14-9-7-6-8-13(14)17-11(3)15-10(2)16-12(4)19-15/h6-9,11,17H,5H2,1-4H3
InChIKeyNQAYLXIHUPBDKH-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline (CID 63752779) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline is CCSc1ccccc1NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline?
The InChIKey is NQAYLXIHUPBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-5-18-14-9-7-6-8-13(14)17-11(3)15-10(2)16-12(4)19-15/h6-9,11,17H,5H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline has a molecular weight of 292.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline is sourced from PubChem (CID 63752779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).