(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C13H16N2OS — CID 81397203

IUPAC(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1nccs1
InChIInChI=1S/C13H16N2OS/c1-10(15-9-13-14-7-8-17-13)11-5-3-4-6-12(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1
InChIKeyBPHNZMGCXCPYDY-JTQLQIEISA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 81397203) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID81397203
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1nccs1
InChIInChI=1S/C13H16N2OS/c1-10(15-9-13-14-7-8-17-13)11-5-3-4-6-12(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1
InChIKeyBPHNZMGCXCPYDY-JTQLQIEISA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-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-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81377691
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 28665271
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 43431978
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 81397203) is (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is COc1ccccc1[C@H](C)NCc1nccs1.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is BPHNZMGCXCPYDY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(15-9-13-14-7-8-17-13)11-5-3-4-6-12(11)16-2/h3-8,10,15H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81397203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).