1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

C14H18N2O2S — CID 63021499

IUPAC1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCc1cnc(C)s1
InChIInChI=1S/C14H18N2O2S/c1-9(15)11-4-5-13(14(6-11)17-3)18-8-12-7-16-10(2)19-12/h4-7,9H,8,15H2,1-3H3
InChIKeyRVJWUHTYEOGLFI-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 63021499) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID63021499
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCc1cnc(C)s1
InChIInChI=1S/C14H18N2O2S/c1-9(15)11-4-5-13(14(6-11)17-3)18-8-12-7-16-10(2)19-12/h4-7,9H,8,15H2,1-3H3
InChIKeyRVJWUHTYEOGLFI-UHFFFAOYSA-N
XLogP3.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-[(5-bromothiophen-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936514
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332
1-[3-methoxy-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66156818
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63019763
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (CID 63021499) is 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is COc1cc(C(C)N)ccc1OCc1cnc(C)s1.
What is the InChIKey of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is RVJWUHTYEOGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9(15)11-4-5-13(14(6-11)17-3)18-8-12-7-16-10(2)19-12/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63021499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).