1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine

C17H24N2S — CID 81326914

IUPAC1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C17H24N2S/c1-10-7-11(2)9-16(8-10)12(3)18-13(4)17-14(5)19-15(6)20-17/h7-9,12-13,18H,1-6H3
InChIKeyRCKAAVZIFBHKDN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.79
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine

1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 81326914) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID81326914
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C17H24N2S/c1-10-7-11(2)9-16(8-10)12(3)18-13(4)17-14(5)19-15(6)20-17/h7-9,12-13,18H,1-6H3
InChIKeyRCKAAVZIFBHKDN-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 81326914) is 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1cc(C)cc(C(C)NC(C)c2sc(C)nc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is RCKAAVZIFBHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-10-7-11(2)9-16(8-10)12(3)18-13(4)17-14(5)19-15(6)20-17/h7-9,12-13,18H,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81326914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).