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

C13H16N2S — CID 60641301

IUPACN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2S/c1-3-14-8-12-9-16-13(15-12)11-6-4-10(2)5-7-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyBXEPHKNAEUTHKK-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.23
Rot. Bonds4

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

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 60641301) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID60641301
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2S/c1-3-14-8-12-9-16-13(15-12)11-6-4-10(2)5-7-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyBXEPHKNAEUTHKK-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 60641301) is N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is BXEPHKNAEUTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-14-8-12-9-16-13(15-12)11-6-4-10(2)5-7-11/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 60641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).