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

C17H11ClFNO2S — CID 7775901

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C17H11ClFNO2S/c18-15-4-2-1-3-14(15)17(21)22-9-13-10-23-16(20-13)11-5-7-12(19)8-6-11/h1-8,10H,9H2
InChIKeyMAHNKQSUHLSLRV-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.96
Rot. Bonds4

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

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate (PubChem CID 7775901) has the molecular formula C17H11ClFNO2S and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
PubChem CID7775901
Molecular FormulaC17H11ClFNO2S
Molecular Weight347.80 g/mol
Exact Mass347.02
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C17H11ClFNO2S/c18-15-4-2-1-3-14(15)17(21)22-9-13-10-23-16(20-13)11-5-7-12(19)8-6-11/h1-8,10H,9H2
InChIKeyMAHNKQSUHLSLRV-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate (CID 7775901) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Cl.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate?
The InChIKey is MAHNKQSUHLSLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2S/c18-15-4-2-1-3-14(15)17(21)22-9-13-10-23-16(20-13)11-5-7-12(19)8-6-11/h1-8,10H,9H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate has a molecular weight of 347.80 g/mol, XLogP of 4.96, 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 2-chlorobenzoate is sourced from PubChem (CID 7775901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).