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

C14H18N2S — CID 55027046

IUPACN-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2S/c1-11-3-5-13(6-4-11)9-15-8-7-14-16-12(2)10-17-14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXJURHUCFOMIBSU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.09
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 55027046) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID55027046
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2S/c1-11-3-5-13(6-4-11)9-15-8-7-14-16-12(2)10-17-14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyXJURHUCFOMIBSU-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103427
2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60956803
N-[(5-methyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 80708302
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63238886
2-methoxy-5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 65340913
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 55027046) is N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1ccc(CNCCc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XJURHUCFOMIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-3-5-13(6-4-11)9-15-8-7-14-16-12(2)10-17-14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 55027046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).