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

C16H11N3O2S — CID 135550627

IUPAC5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol
SMILESOc1ccccc1-c1sc(-c2n[nH]c3ccccc23)nc1O
InChIInChI=1S/C16H11N3O2S/c20-12-8-4-2-6-10(12)14-15(21)17-16(22-14)13-9-5-1-3-7-11(9)18-19-13/h1-8,20-21H,(H,18,19)
InChIKeyXWHIFQPSUZFYFO-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.76
Rot. Bonds2

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

5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol (PubChem CID 135550627) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol
PubChem CID135550627
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol
SMILESOc1ccccc1-c1sc(-c2n[nH]c3ccccc23)nc1O
InChIInChI=1S/C16H11N3O2S/c20-12-8-4-2-6-10(12)14-15(21)17-16(22-14)13-9-5-1-3-7-11(9)18-19-13/h1-8,20-21H,(H,18,19)
InChIKeyXWHIFQPSUZFYFO-UHFFFAOYSA-N
XLogP3.76
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol?
The IUPAC name of 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol (CID 135550627) is 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol is Oc1ccccc1-c1sc(-c2n[nH]c3ccccc23)nc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol?
The InChIKey is XWHIFQPSUZFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-12-8-4-2-6-10(12)14-15(21)17-16(22-14)13-9-5-1-3-7-11(9)18-19-13/h1-8,20-21H,(H,18,19).
What are the key properties of 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol?
5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol has a molecular weight of 309.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 135550627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).