2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

C16H22N2S — CID 43682979

IUPAC2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccccc2C(C)(C)C)cs1
InChIInChI=1S/C16H22N2S/c1-11(15-10-19-12(2)18-15)17-14-9-7-6-8-13(14)16(3,4)5/h6-11,17H,1-5H3
InChIKeyGWLKCLFVDGDFPZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.92
Rot. Bonds3

About 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43682979) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43682979
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccccc2C(C)(C)C)cs1
InChIInChI=1S/C16H22N2S/c1-11(15-10-19-12(2)18-15)17-14-9-7-6-8-13(14)16(3,4)5/h6-11,17H,1-5H3
InChIKeyGWLKCLFVDGDFPZ-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724564
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
1-(4-tert-butylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43674139
N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43682979) is 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2ccccc2C(C)(C)C)cs1.
What is the InChIKey of 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is GWLKCLFVDGDFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(15-10-19-12(2)18-15)17-14-9-7-6-8-13(14)16(3,4)5/h6-11,17H,1-5H3.
What are the key properties of 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 274.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43682979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).