1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C15H20N2OS — CID 4308987

IUPAC1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(C)cc1-c1csc(C(C)NC)n1
InChIInChI=1S/C15H20N2OS/c1-5-18-14-7-6-10(2)8-12(14)13-9-19-15(17-13)11(3)16-4/h6-9,11,16H,5H2,1-4H3
InChIKeyGSHMOHOJYUSUEN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 4308987) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID4308987
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(C)cc1-c1csc(C(C)NC)n1
InChIInChI=1S/C15H20N2OS/c1-5-18-14-7-6-10(2)8-12(14)13-9-19-15(17-13)11(3)16-4/h6-9,11,16H,5H2,1-4H3
InChIKeyGSHMOHOJYUSUEN-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3647690
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5137111
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3261335
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 4308987) is 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CCOc1ccc(C)cc1-c1csc(C(C)NC)n1.
What is the InChIKey of 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is GSHMOHOJYUSUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-5-18-14-7-6-10(2)8-12(14)13-9-19-15(17-13)11(3)16-4/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 4308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).