4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole

C19H17BrN4S — CID 157172321

IUPAC4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESBrc1nc(N2CCNCC2)sc1-c1ccnc2c1-c1ccccc1C2
InChIInChI=1S/C19H17BrN4S/c20-18-17(25-19(23-18)24-9-7-21-8-10-24)14-5-6-22-15-11-12-3-1-2-4-13(12)16(14)15/h1-6,21H,7-11H2
InChIKeyBZASQPVVMOSWPF-UHFFFAOYSA-N
MW413.34 g/mol
LogP3.95
Rot. Bonds2

About 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole

4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 157172321) has the molecular formula C19H17BrN4S and a molecular weight of 413.34 g/mol. Its IUPAC name is 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID157172321
Molecular FormulaC19H17BrN4S
Molecular Weight413.34 g/mol
Exact Mass412.04
IUPAC Name4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESBrc1nc(N2CCNCC2)sc1-c1ccnc2c1-c1ccccc1C2
InChIInChI=1S/C19H17BrN4S/c20-18-17(25-19(23-18)24-9-7-21-8-10-24)14-5-6-22-15-11-12-3-1-2-4-13(12)16(14)15/h1-6,21H,7-11H2
InChIKeyBZASQPVVMOSWPF-UHFFFAOYSA-N
XLogP3.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole (CID 157172321) is 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole is Brc1nc(N2CCNCC2)sc1-c1ccnc2c1-c1ccccc1C2.
What is the InChIKey of 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is BZASQPVVMOSWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4S/c20-18-17(25-19(23-18)24-9-7-21-8-10-24)14-5-6-22-15-11-12-3-1-2-4-13(12)16(14)15/h1-6,21H,7-11H2.
What are the key properties of 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 413.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 157172321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).