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

C18H14ClFN2O2S — CID 7752762

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate
SMILESCc1ccc(Nc2nc(COC(=O)c3ccc(F)cc3Cl)cs2)cc1
InChIInChI=1S/C18H14ClFN2O2S/c1-11-2-5-13(6-3-11)21-18-22-14(10-25-18)9-24-17(23)15-7-4-12(20)8-16(15)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyHLXWSIFLUQRJGR-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.34
Rot. Bonds5

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

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate (PubChem CID 7752762) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate
PubChem CID7752762
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate
SMILESCc1ccc(Nc2nc(COC(=O)c3ccc(F)cc3Cl)cs2)cc1
InChIInChI=1S/C18H14ClFN2O2S/c1-11-2-5-13(6-3-11)21-18-22-14(10-25-18)9-24-17(23)15-7-4-12(20)8-16(15)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyHLXWSIFLUQRJGR-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate (CID 7752762) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate is Cc1ccc(Nc2nc(COC(=O)c3ccc(F)cc3Cl)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate?
The InChIKey is HLXWSIFLUQRJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-11-2-5-13(6-3-11)21-18-22-14(10-25-18)9-24-17(23)15-7-4-12(20)8-16(15)19/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate has a molecular weight of 376.84 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 7752762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).