1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

C15H20N2S — CID 55102445

IUPAC1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H20N2S/c1-5-16-12(4)14-9-17-15(18-14)13-7-10(2)6-11(3)8-13/h6-9,12,16H,5H2,1-4H3
InChIKeyZCADAGJNUFNVTE-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 55102445) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID55102445
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2cc(C)cc(C)c2)s1
InChIInChI=1S/C15H20N2S/c1-5-16-12(4)14-9-17-15(18-14)13-7-10(2)6-11(3)8-13/h6-9,12,16H,5H2,1-4H3
InChIKeyZCADAGJNUFNVTE-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
N-ethyl-1-[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62651759
1-[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652293
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653364
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
N-ethyl-1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 65197718
N-ethyl-1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66118304
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889710

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 55102445) is 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(-c2cc(C)cc(C)c2)s1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is ZCADAGJNUFNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-5-16-12(4)14-9-17-15(18-14)13-7-10(2)6-11(3)8-13/h6-9,12,16H,5H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 55102445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).