4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

C19H18FNOS — CID 141083807

IUPAC4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(COc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H18FNOS/c1-13(2)14-7-9-15(10-8-14)19-21-16(12-23-19)11-22-18-6-4-3-5-17(18)20/h3-10,12-13H,11H2,1-2H3
InChIKeyGQPYMQRRAIISCH-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.65
Rot. Bonds5

About 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 141083807) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID141083807
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2nc(COc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H18FNOS/c1-13(2)14-7-9-15(10-8-14)19-21-16(12-23-19)11-22-18-6-4-3-5-17(18)20/h3-10,12-13H,11H2,1-2H3
InChIKeyGQPYMQRRAIISCH-UHFFFAOYSA-N
XLogP5.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
CID 130552659
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
CID 112769783
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
CID 7785817
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880752

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 141083807) is 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2nc(COc3ccccc3F)cs2)cc1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is GQPYMQRRAIISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c1-13(2)14-7-9-15(10-8-14)19-21-16(12-23-19)11-22-18-6-4-3-5-17(18)20/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 327.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 141083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).