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

C17H12BrN3OS — CID 22259117

IUPAC2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Br)c(O)c1
InChIInChI=1S/C17H12BrN3OS/c1-9-16(10-6-7-12(18)14(22)8-10)23-17(19-9)15-11-4-2-3-5-13(11)20-21-15/h2-8,22H,1H3,(H,20,21)
InChIKeyWQRBENMGWYVFQP-UHFFFAOYSA-N
MW386.27 g/mol
LogP5.13
Rot. Bonds2

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

2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (PubChem CID 22259117) has the molecular formula C17H12BrN3OS and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
PubChem CID22259117
Molecular FormulaC17H12BrN3OS
Molecular Weight386.27 g/mol
Exact Mass384.99
IUPAC Name2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol
SMILESCc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Br)c(O)c1
InChIInChI=1S/C17H12BrN3OS/c1-9-16(10-6-7-12(18)14(22)8-10)23-17(19-9)15-11-4-2-3-5-13(11)20-21-15/h2-8,22H,1H3,(H,20,21)
InChIKeyWQRBENMGWYVFQP-UHFFFAOYSA-N
XLogP5.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol (CID 22259117) is 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Br)c(O)c1.
What is the InChIKey of 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
The InChIKey is WQRBENMGWYVFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3OS/c1-9-16(10-6-7-12(18)14(22)8-10)23-17(19-9)15-11-4-2-3-5-13(11)20-21-15/h2-8,22H,1H3,(H,20,21).
What are the key properties of 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol?
2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol has a molecular weight of 386.27 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(1H-indazol-3-yl)-4-methyl-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 22259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).