[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine

C13H15FN2OS — CID 112608195

IUPAC[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCc1nc(COc2c(F)cccc2CN)cs1
InChIInChI=1S/C13H15FN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3
InChIKeyNUUWWMCRYUWNFF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.88
Rot. Bonds5

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

[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 112608195) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID112608195
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCc1nc(COc2c(F)cccc2CN)cs1
InChIInChI=1S/C13H15FN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3
InChIKeyNUUWWMCRYUWNFF-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine with MolForge

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Related Compounds

N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
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]-6-fluorobenzoic acid
CID 104651306
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487551
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine (CID 112608195) is [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine is CCc1nc(COc2c(F)cccc2CN)cs1.
What is the InChIKey of [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is NUUWWMCRYUWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3.
What are the key properties of [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine?
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 112608195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).