N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C16H22N2S — CID 43756145

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1ccccc1
InChIInChI=1S/C16H22N2S/c1-11(17-13-9-7-6-8-10-13)14-12(2)18-15(19-14)16(3,4)5/h6-11,17H,1-5H3
InChIKeyVXCHQLXEDPJXHA-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.92
Rot. Bonds3

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43756145) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43756145
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1ccccc1
InChIInChI=1S/C16H22N2S/c1-11(17-13-9-7-6-8-10-13)14-12(2)18-15(19-14)16(3,4)5/h6-11,17H,1-5H3
InChIKeyVXCHQLXEDPJXHA-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

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43781038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloro-5-fluoroaniline
CID 107363917
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 103478020
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 43772577
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43756145) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(C(C)(C)C)sc1C(C)Nc1ccccc1.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is VXCHQLXEDPJXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(17-13-9-7-6-8-10-13)14-12(2)18-15(19-14)16(3,4)5/h6-11,17H,1-5H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-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 N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43756145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).