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

C17H10BrN5S — CID 155811358

IUPAC4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESBrc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1
InChIInChI=1S/C17H10BrN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyAHDBUJRECAINIT-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.99
Rot. Bonds2

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

4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 155811358) has the molecular formula C17H10BrN5S and a molecular weight of 396.27 g/mol. Its IUPAC name is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID155811358
Molecular FormulaC17H10BrN5S
Molecular Weight396.27 g/mol
Exact Mass394.98
IUPAC Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESBrc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1
InChIInChI=1S/C17H10BrN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyAHDBUJRECAINIT-UHFFFAOYSA-N
XLogP4.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 155811358) is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Brc1cnc2[nH]cc(-c3csc(-c4c[nH]c5ncccc45)n3)c2c1.
What is the InChIKey of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is AHDBUJRECAINIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN5S/c18-9-4-11-12(6-21-16(11)20-5-9)14-8-24-17(23-14)13-7-22-15-10(13)2-1-3-19-15/h1-8H,(H,19,22)(H,20,21).
What are the key properties of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 396.27 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155811358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).