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

C14H18N2S — CID 112755658

IUPACN-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(CC)cc2)s1
InChIInChI=1S/C14H18N2S/c1-3-11-5-7-12(8-6-11)13-9-16-14(17-13)10-15-4-2/h5-9,15H,3-4,10H2,1-2H3
InChIKeyZGMSJRDMXWOADP-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.48
Rot. Bonds5

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

N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 112755658) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID112755658
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(CC)cc2)s1
InChIInChI=1S/C14H18N2S/c1-3-11-5-7-12(8-6-11)13-9-16-14(17-13)10-15-4-2/h5-9,15H,3-4,10H2,1-2H3
InChIKeyZGMSJRDMXWOADP-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 112755658) is N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccc(CC)cc2)s1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is ZGMSJRDMXWOADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11-5-7-12(8-6-11)13-9-16-14(17-13)10-15-4-2/h5-9,15H,3-4,10H2,1-2H3.
What are the key properties of N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 112755658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).