(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C13H16N2S — CID 81373323

IUPAC(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cncs1
InChIInChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)15-8-12-7-14-9-16-12/h3-7,9,11,15H,8H2,1-2H3/t11-/m1/s1
InChIKeyBRJJAMMAFIXIGW-LLVKDONJSA-N
MW232.35 g/mol
LogP3.30
Rot. Bonds4

About (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 81373323) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID81373323
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cncs1
InChIInChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)15-8-12-7-14-9-16-12/h3-7,9,11,15H,8H2,1-2H3/t11-/m1/s1
InChIKeyBRJJAMMAFIXIGW-LLVKDONJSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
N-(1,3-thiazol-5-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 104585412
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 81373323) is (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1cncs1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is BRJJAMMAFIXIGW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-5-3-4-6-13(10)11(2)15-8-12-7-14-9-16-12/h3-7,9,11,15H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 81373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).