2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C18H14FNO3S — CID 78815304

IUPAC2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCCOc1ccccc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FNO3S/c19-14-8-6-13(7-9-14)17-20-16(12-24-17)18(21)23-11-10-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2
InChIKeyDVSKPVPEXFWCKZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.18
Rot. Bonds6

About 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 78815304) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID78815304
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCCOc1ccccc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FNO3S/c19-14-8-6-13(7-9-14)17-20-16(12-24-17)18(21)23-11-10-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2
InChIKeyDVSKPVPEXFWCKZ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838119
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 86863260
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824438
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 78815304) is 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is O=C(OCCOc1ccccc1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DVSKPVPEXFWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-14-8-6-13(7-9-14)17-20-16(12-24-17)18(21)23-11-10-22-15-4-2-1-3-5-15/h1-9,12H,10-11H2.
What are the key properties of 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78815304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).