5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine

C13H16N2S — CID 86062297

IUPAC5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Cc2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-8-4-9(2)12(10(3)5-8)6-11-7-15-13(14)16-11/h4-5,7H,6H2,1-3H3,(H2,14,15)
InChIKeyRJZLYQIQUNYLMU-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.24
Rot. Bonds2

About 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine

5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 86062297) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID86062297
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Cc2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-8-4-9(2)12(10(3)5-8)6-11-7-15-13(14)16-11/h4-5,7H,6H2,1-3H3,(H2,14,15)
InChIKeyRJZLYQIQUNYLMU-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 79050088
5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 107577220
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771663
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 122156846
5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774580
5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
CID 16769831
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
5-ethyl-1,3-thiazol-2-amine;thiourea
CID 160637365
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine (CID 86062297) is 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cc(C)c(Cc2cnc(N)s2)c(C)c1.
What is the InChIKey of 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RJZLYQIQUNYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-9(2)12(10(3)5-8)6-11-7-15-13(14)16-11/h4-5,7H,6H2,1-3H3,(H2,14,15).
What are the key properties of 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86062297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).