2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole

C11H8BrN3S — CID 118663579

IUPAC2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C11H8BrN3S/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15/h2-6H,1H3
InChIKeyPJPIODLZBCHHTM-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.55
Rot. Bonds1

About 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole

2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole (PubChem CID 118663579) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole
PubChem CID118663579
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C11H8BrN3S/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15/h2-6H,1H3
InChIKeyPJPIODLZBCHHTM-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole (CID 118663579) is 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole is Cc1csc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is PJPIODLZBCHHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15/h2-6H,1H3.
What are the key properties of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole?
2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 294.18 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 118663579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).