3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol

C17H12ClN3OS — CID 22259091

IUPAC3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2[nH]nc3c(Cl)cccc23)sc1-c1cccc(O)c1
InChIInChI=1S/C17H12ClN3OS/c1-9-16(10-4-2-5-11(22)8-10)23-17(19-9)15-12-6-3-7-13(18)14(12)20-21-15/h2-8,22H,1H3,(H,20,21)
InChIKeyJPKZVGSYNCBORG-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.02
Rot. Bonds2

About 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol

3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (PubChem CID 22259091) has the molecular formula C17H12ClN3OS and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
PubChem CID22259091
Molecular FormulaC17H12ClN3OS
Molecular Weight341.82 g/mol
Exact Mass341.04
IUPAC Name3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2[nH]nc3c(Cl)cccc23)sc1-c1cccc(O)c1
InChIInChI=1S/C17H12ClN3OS/c1-9-16(10-4-2-5-11(22)8-10)23-17(19-9)15-12-6-3-7-13(18)14(12)20-21-15/h2-8,22H,1H3,(H,20,21)
InChIKeyJPKZVGSYNCBORG-UHFFFAOYSA-N
XLogP5.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The IUPAC name of 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (CID 22259091) is 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is Cc1nc(-c2[nH]nc3c(Cl)cccc23)sc1-c1cccc(O)c1.
What is the InChIKey of 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The InChIKey is JPKZVGSYNCBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS/c1-9-16(10-4-2-5-11(22)8-10)23-17(19-9)15-12-6-3-7-13(18)14(12)20-21-15/h2-8,22H,1H3,(H,20,21).
What are the key properties of 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol has a molecular weight of 341.82 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-chloro-2H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 22259091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).