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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Related Compounds

4-(4-Benzothiazol-2-YL-1H-pyrazol-3-YL)phenol
CID 136335807
US8754233, 2-(4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-phenol
CID 136351656
2-(5-thieno[2,3-b]quinolin-2-yl-1H-pyrazol-3-yl)phenol
CID 139237657
4-(3,5-difluoro-4-methoxyphenyl)-2-(1H-indazol-3-yl)-1,3-thiazole
CID 178292725
4-(4-(benzo[d]thiazol-2-yl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 725725
2-(7-fluoro-2H-indazol-3-yl)-5-phenyl-1,3-thiazol-4-ol
CID 22259261
3-[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]phenol
CID 102490368
4-(4-(benzo[d]thiazol-2-yl)-5-methyl-1H-pyrazol-3-yl)-2-methylbenzene-1,3-diol
CID 801084
3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
CID 22259091
2-(1H-indazol-3-yl)-4-(4-methoxyphenyl)-1,3-thiazole
CID 22259106
2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
CID 22259117
2-(1H-indazol-3-yl)-4-(3-methoxyphenyl)-1,3-thiazole
CID 22259124

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).