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

C17H22N2S — CID 82430235

IUPACN-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1ccc(-c2nc(CC)c(CNC3CC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-3-12-5-7-13(8-6-12)17-19-15(4-2)16(20-17)11-18-14-9-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3
InChIKeyIGBKCOXIPJHXBC-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.19
Rot. Bonds6

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

N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82430235) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82430235
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1ccc(-c2nc(CC)c(CNC3CC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-3-12-5-7-13(8-6-12)17-19-15(4-2)16(20-17)11-18-14-9-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3
InChIKeyIGBKCOXIPJHXBC-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[2-(2-bromo-4-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915419
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841750
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841868
N-[[4-ethyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 102952823

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82430235) is N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1ccc(-c2nc(CC)c(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is IGBKCOXIPJHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-12-5-7-13(8-6-12)17-19-15(4-2)16(20-17)11-18-14-9-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 4.19, 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-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82430235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).