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

C15H20N2OS — CID 82191130

IUPAC1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CCOc2cc(C)ccc2C)s1
InChIInChI=1S/C15H20N2OS/c1-11-4-5-12(2)14(8-11)18-7-6-15-17-10-13(19-15)9-16-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyBWLSMGXNQLEHOP-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.10
Rot. Bonds6

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

1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82191130) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82191130
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CCOc2cc(C)ccc2C)s1
InChIInChI=1S/C15H20N2OS/c1-11-4-5-12(2)14(8-11)18-7-6-15-17-10-13(19-15)9-16-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyBWLSMGXNQLEHOP-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82295484
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946146
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82191130) is 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(CCOc2cc(C)ccc2C)s1.
What is the InChIKey of 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BWLSMGXNQLEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-4-5-12(2)14(8-11)18-7-6-15-17-10-13(19-15)9-16-3/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82191130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).