N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C14H17FN2O2S — CID 65101059

IUPACN-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(OC)c(F)c1)c1nccs1
InChIInChI=1S/C14H17FN2O2S/c1-18-7-5-16-13(14-17-6-8-20-14)10-3-4-12(19-2)11(15)9-10/h3-4,6,8-9,13,16H,5,7H2,1-2H3
InChIKeyWKWFXPGZGKFNGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.62
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 65101059) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID65101059
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(OC)c(F)c1)c1nccs1
InChIInChI=1S/C14H17FN2O2S/c1-18-7-5-16-13(14-17-6-8-20-14)10-3-4-12(19-2)11(15)9-10/h3-4,6,8-9,13,16H,5,7H2,1-2H3
InChIKeyWKWFXPGZGKFNGL-UHFFFAOYSA-N
XLogP2.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 81155173
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 65101059) is N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1ccc(OC)c(F)c1)c1nccs1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is WKWFXPGZGKFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-18-7-5-16-13(14-17-6-8-20-14)10-3-4-12(19-2)11(15)9-10/h3-4,6,8-9,13,16H,5,7H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 296.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65101059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).