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

C12H14N2OS — CID 79774580

IUPAC5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1OCc1cnc(N)s1
InChIInChI=1S/C12H14N2OS/c1-8-4-3-5-9(2)11(8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyCKCBOMXFNJHILX-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.92
Rot. Bonds3

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

5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774580) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774580
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1OCc1cnc(N)s1
InChIInChI=1S/C12H14N2OS/c1-8-4-3-5-9(2)11(8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyCKCBOMXFNJHILX-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79774580) is 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine is Cc1cccc(C)c1OCc1cnc(N)s1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is CKCBOMXFNJHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-4-3-5-9(2)11(8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine?
5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).