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

C13H16N2OS — CID 28913056

IUPAC4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(OCc2csc(N)n2)c1C
InChIInChI=1S/C13H16N2OS/c1-8-4-5-9(2)12(10(8)3)16-6-11-7-17-13(14)15-11/h4-5,7H,6H2,1-3H3,(H2,14,15)
InChIKeyXJHLBSIBLMWYSZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.23
Rot. Bonds3

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

4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 28913056) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID28913056
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(OCc2csc(N)n2)c1C
InChIInChI=1S/C13H16N2OS/c1-8-4-5-9(2)12(10(8)3)16-6-11-7-17-13(14)15-11/h4-5,7H,6H2,1-3H3,(H2,14,15)
InChIKeyXJHLBSIBLMWYSZ-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39377445
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911
5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139266
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
4-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 79844951
5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine
CID 7139234
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82302885
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908199

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine (CID 28913056) is 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine is Cc1ccc(C)c(OCc2csc(N)n2)c1C.
What is the InChIKey of 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is XJHLBSIBLMWYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-4-5-9(2)12(10(8)3)16-6-11-7-17-13(14)15-11/h4-5,7H,6H2,1-3H3,(H2,14,15).
What are the key properties of 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine?
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).