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

C18H26N2S — CID 61193902

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H26N2S/c1-6-15-8-10-16(11-9-15)17(7-2)20-13(4)18-12(3)19-14(5)21-18/h8-11,13,17,20H,6-7H2,1-5H3
InChIKeyGBDFRWWUWBGFPY-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.12
Rot. Bonds6

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine (PubChem CID 61193902) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
PubChem CID61193902
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)NC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H26N2S/c1-6-15-8-10-16(11-9-15)17(7-2)20-13(4)18-12(3)19-14(5)21-18/h8-11,13,17,20H,6-7H2,1-5H3
InChIKeyGBDFRWWUWBGFPY-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 61192274
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-ethylphenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 115726807
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
CID 61192885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine (CID 61193902) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(CC)NC(C)c2sc(C)nc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is GBDFRWWUWBGFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-6-15-8-10-16(11-9-15)17(7-2)20-13(4)18-12(3)19-14(5)21-18/h8-11,13,17,20H,6-7H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 61193902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).