[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

C14H18N2O2S — CID 60880178

IUPAC[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H18N2O2S/c1-3-17-14-6-11(7-15)4-5-13(14)18-8-12-9-19-10(2)16-12/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyNYKXDYOXNNOMTP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.89
Rot. Bonds6

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

[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 60880178) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID60880178
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H18N2O2S/c1-3-17-14-6-11(7-15)4-5-13(14)18-8-12-9-19-10(2)16-12/h4-6,9H,3,7-8,15H2,1-2H3
InChIKeyNYKXDYOXNNOMTP-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593
1-[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 62370180
[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine
CID 65273643

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 60880178) is [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CCOc1cc(CN)ccc1OCc1csc(C)n1.
What is the InChIKey of [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is NYKXDYOXNNOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-17-14-6-11(7-15)4-5-13(14)18-8-12-9-19-10(2)16-12/h4-6,9H,3,7-8,15H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60880178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).