1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine

C17H24N2S — CID 105019919

IUPAC1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1cc(C)ccc1C
InChIInChI=1S/C17H24N2S/c1-6-18-16(10-17-19-13(4)14(5)20-17)15-9-11(2)7-8-12(15)3/h7-9,16,18H,6,10H2,1-5H3
InChIKeyBWSPEQWLYGXNQY-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.27
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine

1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (PubChem CID 105019919) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
PubChem CID105019919
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1cc(C)ccc1C
InChIInChI=1S/C17H24N2S/c1-6-18-16(10-17-19-13(4)14(5)20-17)15-9-11(2)7-8-12(15)3/h7-9,16,18H,6,10H2,1-5H3
InChIKeyBWSPEQWLYGXNQY-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 105019741
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019918
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 107539237
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019818
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (CID 105019919) is 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is CCNC(Cc1nc(C)c(C)s1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The InChIKey is BWSPEQWLYGXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-18-16(10-17-19-13(4)14(5)20-17)15-9-11(2)7-8-12(15)3/h7-9,16,18H,6,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105019919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).