N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C15H20N2S — CID 62796536

IUPACN-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cccc(C)c1
InChIInChI=1S/C15H20N2S/c1-4-16-14(9-15-17-12(3)10-18-15)13-7-5-6-11(2)8-13/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyOWPLFVVUTWYBJJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 62796536) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID62796536
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cccc(C)c1
InChIInChI=1S/C15H20N2S/c1-4-16-14(9-15-17-12(3)10-18-15)13-7-5-6-11(2)8-13/h5-8,10,14,16H,4,9H2,1-3H3
InChIKeyOWPLFVVUTWYBJJ-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62795308
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104770852
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 62796536) is N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is OWPLFVVUTWYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-16-14(9-15-17-12(3)10-18-15)13-7-5-6-11(2)8-13/h5-8,10,14,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62796536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).