1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C18H26N2S — CID 115726807

IUPAC1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)c2ncc(CC)s2)cc1
InChIInChI=1S/C18H26N2S/c1-5-14-8-10-15(11-9-14)17(7-3)20-13(4)18-19-12-16(6-2)21-18/h8-13,17,20H,5-7H2,1-4H3
InChIKeyNBPBVHIICYHBHJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.07
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 115726807) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID115726807
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)c2ncc(CC)s2)cc1
InChIInChI=1S/C18H26N2S/c1-5-14-8-10-15(11-9-14)17(7-3)20-13(4)18-19-12-16(6-2)21-18/h8-13,17,20H,5-7H2,1-4H3
InChIKeyNBPBVHIICYHBHJ-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
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5-[1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
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(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
1-(5-bromothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700486
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 61193902
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 112700496
N-[1-(4-ethylphenyl)propyl]butan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 115726807) is 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCc1ccc(C(CC)NC(C)c2ncc(CC)s2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NBPBVHIICYHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-14-8-10-15(11-9-14)17(7-3)20-13(4)18-19-12-16(6-2)21-18/h8-13,17,20H,5-7H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115726807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).