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

C15H20N2O2S — CID 82001527

IUPAC(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H20N2O2S/c1-9(16)13-6-5-12(18-4)7-14(13)19-8-15-17-10(2)11(3)20-15/h5-7,9H,8,16H2,1-4H3/t9-/m1/s1
InChIKeyNJHSQEPZAFVAJO-SECBINFHSA-N
MW292.40 g/mol
LogP3.37
Rot. Bonds5

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

(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine (PubChem CID 82001527) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
PubChem CID82001527
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H20N2O2S/c1-9(16)13-6-5-12(18-4)7-14(13)19-8-15-17-10(2)11(3)20-15/h5-7,9H,8,16H2,1-4H3/t9-/m1/s1
InChIKeyNJHSQEPZAFVAJO-SECBINFHSA-N
XLogP3.37
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 82000081
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
(1R)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 82000982
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899
(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719981
(1R)-1-[4-methoxy-2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]ethanamine
CID 82000414
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine (CID 82001527) is (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine is COc1ccc([C@@H](C)N)c(OCc2nc(C)c(C)s2)c1.
What is the InChIKey of (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The InChIKey is NJHSQEPZAFVAJO-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(16)13-6-5-12(18-4)7-14(13)19-8-15-17-10(2)11(3)20-15/h5-7,9H,8,16H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82001527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).