2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

C18H12FN3OS — CID 135987133

IUPAC2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccc(F)cc2)sc1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C18H12FN3OS/c19-12-5-7-13(8-6-12)21-18-22-17(23)16(24-18)9-11-10-20-15-4-2-1-3-14(11)15/h1-10,23H,(H,21,22)/b11-9-
InChIKeyKNJUXYSNGWKXAP-LUAWRHEFSA-N
MW337.38 g/mol
LogP4.99
Rot. Bonds3

About 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135987133) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID135987133
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccc(F)cc2)sc1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C18H12FN3OS/c19-12-5-7-13(8-6-12)21-18-22-17(23)16(24-18)9-11-10-20-15-4-2-1-3-14(11)15/h1-10,23H,(H,21,22)/b11-9-
InChIKeyKNJUXYSNGWKXAP-LUAWRHEFSA-N
XLogP4.99
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135987133) is 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is Oc1nc(Nc2ccc(F)cc2)sc1/C=C1/C=Nc2ccccc21.
What is the InChIKey of 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is KNJUXYSNGWKXAP-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-12-5-7-13(8-6-12)21-18-22-17(23)16(24-18)9-11-10-20-15-4-2-1-3-14(11)15/h1-10,23H,(H,21,22)/b11-9-.
What are the key properties of 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 337.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135987133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).