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

C16H22N2OS — CID 43750245

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-19-10-14-8-6-7-9-15(14)17-11(2)16-12(3)20-13(4)18-16/h6-9,11,17H,5,10H2,1-4H3
InChIKeyQZEBDTDZMNLPDN-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.47
Rot. Bonds6

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline (PubChem CID 43750245) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline
PubChem CID43750245
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-19-10-14-8-6-7-9-15(14)17-11(2)16-12(3)20-13(4)18-16/h6-9,11,17H,5,10H2,1-4H3
InChIKeyQZEBDTDZMNLPDN-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline (CID 43750245) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline?
The InChIKey is QZEBDTDZMNLPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-10-14-8-6-7-9-15(14)17-11(2)16-12(3)20-13(4)18-16/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline has a molecular weight of 290.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43750245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).