4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

C15H20N2S — CID 2798716

IUPAC4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(C)(C)C)cs2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-7-12(11(2)8-10)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17)
InChIKeyLKFGKNKUYSKORM-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.80
Rot. Bonds2

About 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 2798716) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID2798716
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(C)(C)C)cs2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-7-12(11(2)8-10)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17)
InChIKeyLKFGKNKUYSKORM-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 2798716) is 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C(C)(C)C)cs2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LKFGKNKUYSKORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-7-12(11(2)8-10)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2798716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).