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

C16H11N3OS — CID 22259165

IUPAC2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
SMILESOc1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1
InChIInChI=1S/C16H11N3OS/c20-15-14(10-6-2-1-3-7-10)21-16(17-15)13-11-8-4-5-9-12(11)18-19-13/h1-9,20H,(H,18,19)
InChIKeyBMCJFVGBOZDDRM-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.06
Rot. Bonds2

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

2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol (PubChem CID 22259165) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
PubChem CID22259165
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
SMILESOc1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1
InChIInChI=1S/C16H11N3OS/c20-15-14(10-6-2-1-3-7-10)21-16(17-15)13-11-8-4-5-9-12(11)18-19-13/h1-9,20H,(H,18,19)
InChIKeyBMCJFVGBOZDDRM-UHFFFAOYSA-N
XLogP4.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol (CID 22259165) is 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol is Oc1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1.
What is the InChIKey of 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
The InChIKey is BMCJFVGBOZDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-15-14(10-6-2-1-3-7-10)21-16(17-15)13-11-8-4-5-9-12(11)18-19-13/h1-9,20H,(H,18,19).
What are the key properties of 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol?
2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol has a molecular weight of 293.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol is sourced from PubChem (CID 22259165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).