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

C15H20N2S — CID 115710628

IUPAC1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2cncs2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-14(11(2)7-10)12(3)17-13(4)15-8-16-9-18-15/h5-9,12-13,17H,1-4H3
InChIKeyWCCSQPUQDPVBHU-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.17
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 115710628) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID115710628
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2cncs2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-14(11(2)7-10)12(3)17-13(4)15-8-16-9-18-15/h5-9,12-13,17H,1-4H3
InChIKeyWCCSQPUQDPVBHU-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103906295
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103914683
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 61334358
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837
(1R)-1-(furan-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 104865982
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113486927
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (CID 115710628) is 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2cncs2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is WCCSQPUQDPVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-14(11(2)7-10)12(3)17-13(4)15-8-16-9-18-15/h5-9,12-13,17H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 115710628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).