(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C13H16N2OS — CID 81376055

IUPAC(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cscn2)c1
InChIInChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-4-3-5-13(6-11)16-2/h3-6,8-10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyNJHKDURFAIGCAM-SNVBAGLBSA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 81376055) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID81376055
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cscn2)c1
InChIInChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-4-3-5-13(6-11)16-2/h3-6,8-10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyNJHKDURFAIGCAM-SNVBAGLBSA-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

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Related Compounds

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
1-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 55150037
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103258113
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 81376055) is (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is COc1cccc([C@@H](C)NCc2cscn2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is NJHKDURFAIGCAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(14-7-12-8-17-9-15-12)11-4-3-5-13(6-11)16-2/h3-6,8-10,14H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-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 (1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 81376055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).