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

C17H24N2S — CID 63751782

IUPAC2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2ccccc2C(C)(C)C)s1
InChIInChI=1S/C17H24N2S/c1-11-16(20-13(3)18-11)12(2)19-15-10-8-7-9-14(15)17(4,5)6/h7-10,12,19H,1-6H3
InChIKeyOPIHDZMLSVGPES-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.23
Rot. Bonds3

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

2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 63751782) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID63751782
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2ccccc2C(C)(C)C)s1
InChIInChI=1S/C17H24N2S/c1-11-16(20-13(3)18-11)12(2)19-15-10-8-7-9-14(15)17(4,5)6/h7-10,12,19H,1-6H3
InChIKeyOPIHDZMLSVGPES-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (CID 63751782) is 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(C)c(C(C)Nc2ccccc2C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is OPIHDZMLSVGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11-16(20-13(3)18-11)12(2)19-15-10-8-7-9-14(15)17(4,5)6/h7-10,12,19H,1-6H3.
What are the key properties of 2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 288.46 g/mol, XLogP of 5.23, 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 63751782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).