1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine

C18H26N2S — CID 62653171

IUPAC1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1Cc1ncc(C(C)N)s1
InChIInChI=1S/C18H26N2S/c1-11-7-14(18(4,5)6)8-12(2)15(11)9-17-20-10-16(21-17)13(3)19/h7-8,10,13H,9,19H2,1-6H3
InChIKeyLFDUTIYONJMRST-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.67
Rot. Bonds3

About 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine

1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62653171) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62653171
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1Cc1ncc(C(C)N)s1
InChIInChI=1S/C18H26N2S/c1-11-7-14(18(4,5)6)8-12(2)15(11)9-17-20-10-16(21-17)13(3)19/h7-8,10,13H,9,19H2,1-6H3
InChIKeyLFDUTIYONJMRST-UHFFFAOYSA-N
XLogP4.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 62653171) is 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine is Cc1cc(C(C)(C)C)cc(C)c1Cc1ncc(C(C)N)s1.
What is the InChIKey of 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LFDUTIYONJMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-11-7-14(18(4,5)6)8-12(2)15(11)9-17-20-10-16(21-17)13(3)19/h7-8,10,13H,9,19H2,1-6H3.
What are the key properties of 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 302.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).