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

C15H20N2S — CID 79817942

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
SMILESCc1ccc(Cc2nc(C(C)(C)C)cs2)cc1N
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(7-12(10)16)8-14-17-13(9-18-14)15(2,3)4/h5-7,9H,8,16H2,1-4H3
InChIKeyCHWJBBLGPHQYIF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.92
Rot. Bonds2

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

5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline (PubChem CID 79817942) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
PubChem CID79817942
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
SMILESCc1ccc(Cc2nc(C(C)(C)C)cs2)cc1N
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(7-12(10)16)8-14-17-13(9-18-14)15(2,3)4/h5-7,9H,8,16H2,1-4H3
InChIKeyCHWJBBLGPHQYIF-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline (CID 79817942) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline is Cc1ccc(Cc2nc(C(C)(C)C)cs2)cc1N.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline?
The InChIKey is CHWJBBLGPHQYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-11(7-12(10)16)8-14-17-13(9-18-14)15(2,3)4/h5-7,9H,8,16H2,1-4H3.
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline?
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline has a molecular weight of 260.41 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 79817942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).