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

C15H20N2OS — CID 81370937

IUPAC(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-12(3)19-15(17-10)9-16-11(2)13-5-7-14(18-4)8-6-13/h5-8,11,16H,9H2,1-4H3/t11-/m1/s1
InChIKeyJRHXRBZCYJEOSU-LLVKDONJSA-N
MW276.41 g/mol
LogP3.62
Rot. Bonds5

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

(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81370937) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81370937
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-10-12(3)19-15(17-10)9-16-11(2)13-5-7-14(18-4)8-6-13/h5-8,11,16H,9H2,1-4H3/t11-/m1/s1
InChIKeyJRHXRBZCYJEOSU-LLVKDONJSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 28665345
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836706
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400388
(1S)-1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81378017
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 81370937) is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2nc(C)c(C)s2)cc1.
What is the InChIKey of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JRHXRBZCYJEOSU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-12(3)19-15(17-10)9-16-11(2)13-5-7-14(18-4)8-6-13/h5-8,11,16H,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).