4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol

C15H10F2N2O2S — CID 5190983

IUPAC4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O
InChIInChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19)
InChIKeyGFUKFZXSGYDXIF-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.24
Rot. Bonds3

About 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol

4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol (PubChem CID 5190983) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
PubChem CID5190983
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
SMILESOc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O
InChIInChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19)
InChIKeyGFUKFZXSGYDXIF-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol (CID 5190983) is 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol is Oc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)cc1O.
What is the InChIKey of 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol?
The InChIKey is GFUKFZXSGYDXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19).
What are the key properties of 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol?
4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol has a molecular weight of 320.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 5190983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).