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

C16H11N3OS — CID 22259251

IUPAC2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol
SMILESOc1ccccc1-c1csc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C16H11N3OS/c20-14-8-4-2-5-10(14)13-9-21-16(17-13)15-11-6-1-3-7-12(11)18-19-15/h1-9,20H,(H,18,19)
InChIKeyNUUSYTJSYUOFGD-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.06
Rot. Bonds2

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

2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 22259251) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol
PubChem CID22259251
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol
SMILESOc1ccccc1-c1csc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C16H11N3OS/c20-14-8-4-2-5-10(14)13-9-21-16(17-13)15-11-6-1-3-7-12(11)18-19-15/h1-9,20H,(H,18,19)
InChIKeyNUUSYTJSYUOFGD-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-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol (CID 22259251) is 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol is Oc1ccccc1-c1csc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is NUUSYTJSYUOFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-14-8-4-2-5-10(14)13-9-21-16(17-13)15-11-6-1-3-7-12(11)18-19-15/h1-9,20H,(H,18,19).
What are the key properties of 2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol?
2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol 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-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 22259251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).