2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole

C18H10BrClN4S — CID 155815650

IUPAC2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole
SMILESClc1nccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c12
InChIInChI=1S/C18H10BrClN4S/c19-9-1-2-14-11(5-9)13(7-22-14)18-24-15(8-25-18)12-6-23-16-10(12)3-4-21-17(16)20/h1-8,22-23H
InChIKeyVGIVNEAHPDYLCJ-UHFFFAOYSA-N
MW429.73 g/mol
LogP6.25
Rot. Bonds2

About 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole

2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole (PubChem CID 155815650) has the molecular formula C18H10BrClN4S and a molecular weight of 429.73 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole
PubChem CID155815650
Molecular FormulaC18H10BrClN4S
Molecular Weight429.73 g/mol
Exact Mass427.95
IUPAC Name2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole
SMILESClc1nccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c12
InChIInChI=1S/C18H10BrClN4S/c19-9-1-2-14-11(5-9)13(7-22-14)18-24-15(8-25-18)12-6-23-16-10(12)3-4-21-17(16)20/h1-8,22-23H
InChIKeyVGIVNEAHPDYLCJ-UHFFFAOYSA-N
XLogP6.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole (CID 155815650) is 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole is Clc1nccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole?
The InChIKey is VGIVNEAHPDYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN4S/c19-9-1-2-14-11(5-9)13(7-22-14)18-24-15(8-25-18)12-6-23-16-10(12)3-4-21-17(16)20/h1-8,22-23H.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole?
2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole has a molecular weight of 429.73 g/mol, XLogP of 6.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).