[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate

C17H10ClF2NO2S — CID 8664153

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H10ClF2NO2S/c18-11-3-6-14(15(20)7-11)17(22)23-8-13-9-24-16(21-13)10-1-4-12(19)5-2-10/h1-7,9H,8H2
InChIKeyOXUXZSQROGWVOF-UHFFFAOYSA-N
MW365.79 g/mol
LogP5.10
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate (PubChem CID 8664153) has the molecular formula C17H10ClF2NO2S and a molecular weight of 365.79 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
PubChem CID8664153
Molecular FormulaC17H10ClF2NO2S
Molecular Weight365.79 g/mol
Exact Mass365.01
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H10ClF2NO2S/c18-11-3-6-14(15(20)7-11)17(22)23-8-13-9-24-16(21-13)10-1-4-12(19)5-2-10/h1-7,9H,8H2
InChIKeyOXUXZSQROGWVOF-UHFFFAOYSA-N
XLogP5.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509270
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,3,4-trimethoxybenzoate
CID 8611531
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 31273220
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2,4-dichlorobenzoate
CID 16869694
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837999
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519685
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-fluoro-2-methoxybenzoate
CID 31221439
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-chloro-2-hydroxybenzoate
CID 7787439
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 16528229

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate (CID 8664153) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate?
The InChIKey is OXUXZSQROGWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2S/c18-11-3-6-14(15(20)7-11)17(22)23-8-13-9-24-16(21-13)10-1-4-12(19)5-2-10/h1-7,9H,8H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate has a molecular weight of 365.79 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate is sourced from PubChem (CID 8664153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).