2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

C18H14ClFN2O2S2 — CID 71521937

IUPAC2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C18H14ClFN2O2S2/c1-2-24-10-6-7-13-14(8-10)26-18(21-13)22-15(23)9-25-17(22)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3
InChIKeyBUUVCGOFXZJKRD-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.27
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 71521937) has the molecular formula C18H14ClFN2O2S2 and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID71521937
Molecular FormulaC18H14ClFN2O2S2
Molecular Weight408.91 g/mol
Exact Mass408.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc2nc(N3C(=O)CSC3c3c(F)cccc3Cl)sc2c1
InChIInChI=1S/C18H14ClFN2O2S2/c1-2-24-10-6-7-13-14(8-10)26-18(21-13)22-15(23)9-25-17(22)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3
InChIKeyBUUVCGOFXZJKRD-UHFFFAOYSA-N
XLogP5.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one (CID 71521937) is 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is CCOc1ccc2nc(N3C(=O)CSC3c3c(F)cccc3Cl)sc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is BUUVCGOFXZJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S2/c1-2-24-10-6-7-13-14(8-10)26-18(21-13)22-15(23)9-25-17(22)16-11(19)4-3-5-12(16)20/h3-8,17H,2,9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 408.91 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71521937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).