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

C15H10F2N2OS — CID 694593

IUPAC3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1
InChIInChI=1S/C15H10F2N2OS/c16-9-4-5-12(13(17)6-9)14-8-21-15(19-14)18-10-2-1-3-11(20)7-10/h1-8,20H,(H,18,19)
InChIKeyHSAIDXNOFNJTBF-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.54
Rot. Bonds3

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

3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 694593) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID694593
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1
InChIInChI=1S/C15H10F2N2OS/c16-9-4-5-12(13(17)6-9)14-8-21-15(19-14)18-10-2-1-3-11(20)7-10/h1-8,20H,(H,18,19)
InChIKeyHSAIDXNOFNJTBF-UHFFFAOYSA-N
XLogP4.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 694593) is 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1.
What is the InChIKey of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is HSAIDXNOFNJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-9-4-5-12(13(17)6-9)14-8-21-15(19-14)18-10-2-1-3-11(20)7-10/h1-8,20H,(H,18,19).
What are the key properties of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol?
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 304.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 694593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).