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

C17H24N2S — CID 61192274

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)c1sc(C)nc1C)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-6-16(15-9-7-11(2)8-10-15)19-13(4)17-12(3)18-14(5)20-17/h7-10,13,16,19H,6H2,1-5H3
InChIKeyCBGNDIPENAUVCH-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.87
Rot. Bonds5

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 61192274) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID61192274
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)c1sc(C)nc1C)c1ccc(C)cc1
InChIInChI=1S/C17H24N2S/c1-6-16(15-9-7-11(2)8-10-15)19-13(4)17-12(3)18-14(5)20-17/h7-10,13,16,19H,6H2,1-5H3
InChIKeyCBGNDIPENAUVCH-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.87
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-ethylphenyl)propan-1-amine
CID 61193902
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313057
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
1-(2,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 61193776
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 61193442
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine (CID 61192274) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine is CCC(NC(C)c1sc(C)nc1C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is CBGNDIPENAUVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-16(15-9-7-11(2)8-10-15)19-13(4)17-12(3)18-14(5)20-17/h7-10,13,16,19H,6H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.87, 5 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-methylphenyl)propan-1-amine is sourced from PubChem (CID 61192274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).