(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate

C18H14FNO3S — CID 23962440

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H14FNO3S/c19-15-8-4-5-9-16(15)22-11-17(21)23-10-14-12-24-18(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyRUYYEBALFIGGHD-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.07
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate (PubChem CID 23962440) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
PubChem CID23962440
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H14FNO3S/c19-15-8-4-5-9-16(15)22-11-17(21)23-10-14-12-24-18(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyRUYYEBALFIGGHD-UHFFFAOYSA-N
XLogP4.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-nitrophenoxy)acetate
CID 40561219
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[bromo(triphenyl)-λ5-phosphanyl]acetate
CID 164942759
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23878313
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate (CID 23962440) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate is O=C(COc1ccccc1F)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate?
The InChIKey is RUYYEBALFIGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-15-8-4-5-9-16(15)22-11-17(21)23-10-14-12-24-18(20-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate has a molecular weight of 343.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 23962440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).