1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine

C14H18N2S — CID 62653754

IUPAC1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cccc(C)c2C)s1
InChIInChI=1S/C14H18N2S/c1-9-6-5-7-12(10(9)2)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3
InChIKeyCHOGUKYHSMMBPY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.71
Rot. Bonds3

About 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 62653754) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID62653754
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cccc(C)c2C)s1
InChIInChI=1S/C14H18N2S/c1-9-6-5-7-12(10(9)2)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3
InChIKeyCHOGUKYHSMMBPY-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 62653754) is 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2cccc(C)c2C)s1.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is CHOGUKYHSMMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-6-5-7-12(10(9)2)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 62653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).