1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H22N2OS — CID 82428977

IUPAC1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(COc2c(C)cccc2C)sc1CNC
InChIInChI=1S/C16H22N2OS/c1-5-13-14(9-17-4)20-15(18-13)10-19-16-11(2)7-6-8-12(16)3/h6-8,17H,5,9-10H2,1-4H3
InChIKeyKPXNCRJOOSMECX-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82428977) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82428977
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(COc2c(C)cccc2C)sc1CNC
InChIInChI=1S/C16H22N2OS/c1-5-13-14(9-17-4)20-15(18-13)10-19-16-11(2)7-6-8-12(16)3/h6-8,17H,5,9-10H2,1-4H3
InChIKeyKPXNCRJOOSMECX-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82428977) is 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(COc2c(C)cccc2C)sc1CNC.
What is the InChIKey of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is KPXNCRJOOSMECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-13-14(9-17-4)20-15(18-13)10-19-16-11(2)7-6-8-12(16)3/h6-8,17H,5,9-10H2,1-4H3.
What are the key properties of 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82428977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).