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

C15H9BrN4S — CID 164946219

IUPAC2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole
SMILESBrc1cnc2[nH]cc(-c3nnc(-c4ccccc4)s3)c2c1
InChIInChI=1S/C15H9BrN4S/c16-10-6-11-12(8-18-13(11)17-7-10)15-20-19-14(21-15)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyPBMLVOGOOFYTOT-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.51
Rot. Bonds2

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

2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 164946219) has the molecular formula C15H9BrN4S and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole
PubChem CID164946219
Molecular FormulaC15H9BrN4S
Molecular Weight357.24 g/mol
Exact Mass355.97
IUPAC Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole
SMILESBrc1cnc2[nH]cc(-c3nnc(-c4ccccc4)s3)c2c1
InChIInChI=1S/C15H9BrN4S/c16-10-6-11-12(8-18-13(11)17-7-10)15-20-19-14(21-15)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyPBMLVOGOOFYTOT-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole (CID 164946219) is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole is Brc1cnc2[nH]cc(-c3nnc(-c4ccccc4)s3)c2c1.
What is the InChIKey of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is PBMLVOGOOFYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4S/c16-10-6-11-12(8-18-13(11)17-7-10)15-20-19-14(21-15)9-4-2-1-3-5-9/h1-8H,(H,17,18).
What are the key properties of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole?
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 357.24 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 164946219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).