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

C17H24N2S — CID 104841372

IUPACN-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(C(C)C)cc2)nc1CC
InChIInChI=1S/C17H24N2S/c1-5-15-16(11-18-6-2)20-17(19-15)14-9-7-13(8-10-14)12(3)4/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyCRBVOZOPRKKWSY-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.61
Rot. Bonds6

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

N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841372) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841372
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(C(C)C)cc2)nc1CC
InChIInChI=1S/C17H24N2S/c1-5-15-16(11-18-6-2)20-17(19-15)14-9-7-13(8-10-14)12(3)4/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyCRBVOZOPRKKWSY-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841335
N-[[2-(3,4-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842156
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842115
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841372) is N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(C(C)C)cc2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CRBVOZOPRKKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-15-16(11-18-6-2)20-17(19-15)14-9-7-13(8-10-14)12(3)4/h7-10,12,18H,5-6,11H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).