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

C17H24N2S — CID 105019191

IUPACN-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccccc1CC
InChIInChI=1S/C17H24N2S/c1-4-10-18-16(11-17-19-13(3)12-20-17)15-9-7-6-8-14(15)5-2/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyNPCRUVNVTWQHFI-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.30
Rot. Bonds7

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

N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105019191) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105019191
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ccccc1CC
InChIInChI=1S/C17H24N2S/c1-4-10-18-16(11-17-19-13(3)12-20-17)15-9-7-6-8-14(15)5-2/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyNPCRUVNVTWQHFI-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82740928
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105019191) is N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1ccccc1CC.
What is the InChIKey of N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NPCRUVNVTWQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-10-18-16(11-17-19-13(3)12-20-17)15-9-7-6-8-14(15)5-2/h6-9,12,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105019191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).