N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

C18H26N2S — CID 105019392

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H26N2S/c1-6-7-19-16(10-17-20-15(5)11-21-17)18-13(3)8-12(2)9-14(18)4/h8-9,11,16,19H,6-7,10H2,1-5H3
InChIKeyKAFPEPOLYSXIBY-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 105019392) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
PubChem CID105019392
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H26N2S/c1-6-7-19-16(10-17-20-15(5)11-21-17)18-13(3)8-12(2)9-14(18)4/h8-9,11,16,19H,6-7,10H2,1-5H3
InChIKeyKAFPEPOLYSXIBY-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019257
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82740928
N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (CID 105019392) is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is KAFPEPOLYSXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-6-7-19-16(10-17-20-15(5)11-21-17)18-13(3)8-12(2)9-14(18)4/h8-9,11,16,19H,6-7,10H2,1-5H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105019392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).