N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine

C18H26N2S — CID 105409171

IUPACN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H26N2S/c1-6-19-11-14-8-7-13(2)15(9-14)10-17-20-16(12-21-17)18(3,4)5/h7-9,12,19H,6,10-11H2,1-5H3
InChIKeyZUPQFYGJFUHMHD-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.45
Rot. Bonds5

About N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine

N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine (PubChem CID 105409171) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
PubChem CID105409171
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H26N2S/c1-6-19-11-14-8-7-13(2)15(9-14)10-17-20-16(12-21-17)18(3,4)5/h7-9,12,19H,6,10-11H2,1-5H3
InChIKeyZUPQFYGJFUHMHD-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylbenzoic acid
CID 81476230
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 78943710
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 79817297
N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 106887624
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886550
4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 119123789
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
CID 79817396
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
CID 83130372
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-fluorobenzaldehyde
CID 79817070

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine (CID 105409171) is N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(Cc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine?
The InChIKey is ZUPQFYGJFUHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-6-19-11-14-8-7-13(2)15(9-14)10-17-20-16(12-21-17)18(3,4)5/h7-9,12,19H,6,10-11H2,1-5H3.
What are the key properties of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine?
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine has a molecular weight of 302.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105409171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).