N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine

C14H18N2O2S — CID 112640327

IUPACN-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCc2cncs2)c1
InChIInChI=1S/C14H18N2O2S/c1-3-15-7-11-4-5-13(17-2)14(6-11)18-9-12-8-16-10-19-12/h4-6,8,10,15H,3,7,9H2,1-2H3
InChIKeyFBPBYWJMEKPWHW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.84
Rot. Bonds7

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

N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 112640327) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID112640327
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCc2cncs2)c1
InChIInChI=1S/C14H18N2O2S/c1-3-15-7-11-4-5-13(17-2)14(6-11)18-9-12-8-16-10-19-12/h4-6,8,10,15H,3,7,9H2,1-2H3
InChIKeyFBPBYWJMEKPWHW-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862
N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687349
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine (CID 112640327) is N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC)c(OCc2cncs2)c1.
What is the InChIKey of N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is FBPBYWJMEKPWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-15-7-11-4-5-13(17-2)14(6-11)18-9-12-8-16-10-19-12/h4-6,8,10,15H,3,7,9H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine?
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112640327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).