N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline

C16H22N2S — CID 63751752

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2sc(C)nc2C)c(C)c1
InChIInChI=1S/C16H22N2S/c1-9-7-10(2)15(11(3)8-9)18-13(5)16-12(4)17-14(6)19-16/h7-8,13,18H,1-6H3
InChIKeyPSINZQIBJRZXCD-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.86
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline (PubChem CID 63751752) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
PubChem CID63751752
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C)c2sc(C)nc2C)c(C)c1
InChIInChI=1S/C16H22N2S/c1-9-7-10(2)15(11(3)8-9)18-13(5)16-12(4)17-14(6)19-16/h7-8,13,18H,1-6H3
InChIKeyPSINZQIBJRZXCD-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643595
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750614
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3,5-difluorobenzoic acid
CID 63185492
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbenzoic acid
CID 107111939
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-6-nitroaniline
CID 115551379

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline (CID 63751752) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NC(C)c2sc(C)nc2C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline?
The InChIKey is PSINZQIBJRZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-9-7-10(2)15(11(3)8-9)18-13(5)16-12(4)17-14(6)19-16/h7-8,13,18H,1-6H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline has a molecular weight of 274.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 63751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).