N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

C14H17FN2OS — CID 50958317

IUPACN-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nccs1)Cc1ccccc1F
InChIInChI=1S/C14H17FN2OS/c1-18-8-7-17(11-14-16-6-9-19-14)10-12-4-2-3-5-13(12)15/h2-6,9H,7-8,10-11H2,1H3
InChIKeyLCMGQMCWOPAUPW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.93
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 50958317) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID50958317
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nccs1)Cc1ccccc1F
InChIInChI=1S/C14H17FN2OS/c1-18-8-7-17(11-14-16-6-9-19-14)10-12-4-2-3-5-13(12)15/h2-6,9H,7-8,10-11H2,1H3
InChIKeyLCMGQMCWOPAUPW-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 50958317) is N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is COCCN(Cc1nccs1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is LCMGQMCWOPAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-18-8-7-17(11-14-16-6-9-19-14)10-12-4-2-3-5-13(12)15/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 50958317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).