2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol

C16H10FN3OS — CID 22259261

IUPAC2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
SMILESOc1nc(-c2[nH]nc3c(F)cccc23)sc1-c1ccccc1
InChIInChI=1S/C16H10FN3OS/c17-11-8-4-7-10-12(11)19-20-13(10)16-18-15(21)14(22-16)9-5-2-1-3-6-9/h1-8,21H,(H,19,20)
InChIKeyDJJCONDSFUZPPC-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.20
Rot. Bonds2

About 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol

2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol (PubChem CID 22259261) has the molecular formula C16H10FN3OS and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
PubChem CID22259261
Molecular FormulaC16H10FN3OS
Molecular Weight311.34 g/mol
Exact Mass311.05
IUPAC Name2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
SMILESOc1nc(-c2[nH]nc3c(F)cccc23)sc1-c1ccccc1
InChIInChI=1S/C16H10FN3OS/c17-11-8-4-7-10-12(11)19-20-13(10)16-18-15(21)14(22-16)9-5-2-1-3-6-9/h1-8,21H,(H,19,20)
InChIKeyDJJCONDSFUZPPC-UHFFFAOYSA-N
XLogP4.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol (CID 22259261) is 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol is Oc1nc(-c2[nH]nc3c(F)cccc23)sc1-c1ccccc1.
What is the InChIKey of 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The InChIKey is DJJCONDSFUZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3OS/c17-11-8-4-7-10-12(11)19-20-13(10)16-18-15(21)14(22-16)9-5-2-1-3-6-9/h1-8,21H,(H,19,20).
What are the key properties of 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol has a molecular weight of 311.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol is sourced from PubChem (CID 22259261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).