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

C17H24N2S — CID 82193716

IUPACN-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H24N2S/c1-6-18-11-15-12(2)19-16(20-15)13-7-9-14(10-8-13)17(3,4)5/h7-10,18H,6,11H2,1-5H3
InChIKeyLKRXBLUMMFZVFE-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.53
Rot. Bonds4

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

N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82193716) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82193716
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H24N2S/c1-6-18-11-15-12(2)19-16(20-15)13-7-9-14(10-8-13)17(3,4)5/h7-10,18H,6,11H2,1-5H3
InChIKeyLKRXBLUMMFZVFE-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
N-[[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82800759
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63553848
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403555
N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 65197785
N-[[4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362614
N-[[2-(2-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107111775
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82193716) is N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(C(C)(C)C)cc2)nc1C.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LKRXBLUMMFZVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-18-11-15-12(2)19-16(20-15)13-7-9-14(10-8-13)17(3,4)5/h7-10,18H,6,11H2,1-5H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82193716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).