4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine

C13H6BrN3S2 — CID 67814532

IUPAC4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1cnc(-c2cc3ccccc3s2)c2nsnc12
InChIInChI=1S/C13H6BrN3S2/c14-8-6-15-12(13-11(8)16-19-17-13)10-5-7-3-1-2-4-9(7)18-10/h1-6H
InChIKeyDRBGXOUCVAFRJK-UHFFFAOYSA-N
MW348.25 g/mol
LogP4.73
Rot. Bonds1

About 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine

4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 67814532) has the molecular formula C13H6BrN3S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID67814532
Molecular FormulaC13H6BrN3S2
Molecular Weight348.25 g/mol
Exact Mass346.92
IUPAC Name4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1cnc(-c2cc3ccccc3s2)c2nsnc12
InChIInChI=1S/C13H6BrN3S2/c14-8-6-15-12(13-11(8)16-19-17-13)10-5-7-3-1-2-4-9(7)18-10/h1-6H
InChIKeyDRBGXOUCVAFRJK-UHFFFAOYSA-N
XLogP4.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-2-phenylthieno[3,2-b]pyridine
CID 102468255
7-Bromo-4-thienyl[1,2,5]thiadiazolo[3,4-c]pyridine
CID 67817383
4,7-Bis(4-(2-ethylhexyl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89503640
4,7-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89503785
3-Bromo-[1]benzothiolo[2,3-b]pyridine
CID 118050468
7-[5-(2-Fluoro-4-methylphenyl)thiophen-2-yl]-4-[5-(2-fluoro-4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 132162868
4,7-Bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 138461563
7,14-Difluoro-23,28,33-trithia-22,24,26-triazaheptacyclo[18.5.2.26,9.212,15.12,5.116,19.021,25]tritriaconta-1(26),2,4,6,8,12,14,16,18,20(27),21,24,29,31-tetradecaene
CID 145403160
3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 86080449
2-(1-Benzothiophen-2-ylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
CID 134954988
2-(1-Benzothiophen-3-yl)-3-bromopyridine
CID 166444272
9-Bromothieno[2,3-c][1,5]naphthyridine
CID 819130

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 67814532) is 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine is Brc1cnc(-c2cc3ccccc3s2)c2nsnc12.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is DRBGXOUCVAFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrN3S2/c14-8-6-15-12(13-11(8)16-19-17-13)10-5-7-3-1-2-4-9(7)18-10/h1-6H.
What are the key properties of 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine?
4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 348.25 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-7-bromo-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 67814532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).