N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine

C15H19FN2OS — CID 115953378

IUPACN-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1csc(CC)n1
InChIInChI=1S/C15H19FN2OS/c1-3-14-18-12(10-20-14)9-19-15-11(8-17-4-2)6-5-7-13(15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyFZTCIXNABMZWRS-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.53
Rot. Bonds7

About N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine

N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine (PubChem CID 115953378) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
PubChem CID115953378
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC NameN-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1csc(CC)n1
InChIInChI=1S/C15H19FN2OS/c1-3-14-18-12(10-20-14)9-19-15-11(8-17-4-2)6-5-7-13(15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyFZTCIXNABMZWRS-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115953319
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine (CID 115953378) is N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1csc(CC)n1.
What is the InChIKey of N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
The InChIKey is FZTCIXNABMZWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-3-14-18-12(10-20-14)9-19-15-11(8-17-4-2)6-5-7-13(15)16/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine?
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine has a molecular weight of 294.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 115953378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).