N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine

C17H24N2S — CID 103777248

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1nc(CCNC(C)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C17H24N2S/c1-11-8-13(3)17(9-12(11)2)14(4)18-7-6-16-10-20-15(5)19-16/h8-10,14,18H,6-7H2,1-5H3
InChIKeyKBSYFMBSWWLQBQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 103777248) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID103777248
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1nc(CCNC(C)c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C17H24N2S/c1-11-8-13(3)17(9-12(11)2)14(4)18-7-6-16-10-20-15(5)19-16/h8-10,14,18H,6-7H2,1-5H3
InChIKeyKBSYFMBSWWLQBQ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103776206
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106038911
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178
4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
CID 103913810
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine (CID 103777248) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine is Cc1nc(CCNC(C)c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is KBSYFMBSWWLQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11-8-13(3)17(9-12(11)2)14(4)18-7-6-16-10-20-15(5)19-16/h8-10,14,18H,6-7H2,1-5H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 103777248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).