2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole

C13H14FNOS — CID 81422379

IUPAC2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
SMILESCCc1nc(COc2ccc(F)c(C)c2)cs1
InChIInChI=1S/C13H14FNOS/c1-3-13-15-10(8-17-13)7-16-11-4-5-12(14)9(2)6-11/h4-6,8H,3,7H2,1-2H3
InChIKeyHQRFNWUOOYJNOO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.73
Rot. Bonds4

About 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole

2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 81422379) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
PubChem CID81422379
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
SMILESCCc1nc(COc2ccc(F)c(C)c2)cs1
InChIInChI=1S/C13H14FNOS/c1-3-13-15-10(8-17-13)7-16-11-4-5-12(14)9(2)6-11/h4-6,8H,3,7H2,1-2H3
InChIKeyHQRFNWUOOYJNOO-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
CID 60771964
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63879023
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
1-[4-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 102747439
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 107671236

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole (CID 81422379) is 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole is CCc1nc(COc2ccc(F)c(C)c2)cs1.
What is the InChIKey of 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is HQRFNWUOOYJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-3-13-15-10(8-17-13)7-16-11-4-5-12(14)9(2)6-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole?
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 251.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 81422379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).