7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine

C9H4BrN3S2 — CID 67817383

IUPAC7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1cnc(-c2cccs2)c2nsnc12
InChIInChI=1S/C9H4BrN3S2/c10-5-4-11-8(6-2-1-3-14-6)9-7(5)12-15-13-9/h1-4H
InChIKeyXWVYZFSVFMFEDN-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.58
Rot. Bonds1

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

7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 67817383) has the molecular formula C9H4BrN3S2 and a molecular weight of 298.19 g/mol. Its IUPAC name is 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID67817383
Molecular FormulaC9H4BrN3S2
Molecular Weight298.19 g/mol
Exact Mass296.90
IUPAC Name7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1cnc(-c2cccs2)c2nsnc12
InChIInChI=1S/C9H4BrN3S2/c10-5-4-11-8(6-2-1-3-14-6)9-7(5)12-15-13-9/h1-4H
InChIKeyXWVYZFSVFMFEDN-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Di-2-thienylthieno[3,4-b]pyrazine
CID 67968415
2-Thiophen-2-yl-[1,3]selenazolo[5,4-b]pyridine
CID 13774115
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
7-Bromo-6-fluoro-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89769332
7-Bromo-6-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 123947148
7-Bromo-6-fluoro-4-[5-(5-iodothiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 163654946
2-Thienyl-4-azaindole
CID 15210861
3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 86080449
7-bromo-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 119094687
1-(2-Thienyl)pyrrolo[1,2-a]pyrazine
CID 129798025
2-(5-Bromothiophen-2-yl)-[1,3]tellurazolo[5,4-b]pyridine
CID 168349737

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 67817383) is 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine is Brc1cnc(-c2cccs2)c2nsnc12.
What is the InChIKey of 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is XWVYZFSVFMFEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrN3S2/c10-5-4-11-8(6-2-1-3-14-6)9-7(5)12-15-13-9/h1-4H.
What are the key properties of 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine?
7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 298.19 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-thiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 67817383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).