4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol

C15H11FN2OS — CID 118708825

IUPAC4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
InChIKeyAOMXAQIBMNYTCK-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.40
Rot. Bonds3

About 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol

4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol (PubChem CID 118708825) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol
PubChem CID118708825
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18)
InChIKeyAOMXAQIBMNYTCK-UHFFFAOYSA-N
XLogP4.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol (CID 118708825) is 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol?
The InChIKey is AOMXAQIBMNYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-3-5-12(6-4-11)17-15-18-14(9-20-15)10-1-7-13(19)8-2-10/h1-9,19H,(H,17,18).
What are the key properties of 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol?
4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol has a molecular weight of 286.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 118708825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).