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

C13H5Br2N3S3 — CID 58129784

IUPAC4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1ccc(-c2cnc(-c3ccc(Br)s3)c3nsnc23)s1
InChIInChI=1S/C13H5Br2N3S3/c14-9-3-1-7(19-9)6-5-16-12(8-2-4-10(15)20-8)13-11(6)17-21-18-13/h1-5H
InChIKeyXZHJMYMJWNTTBJ-UHFFFAOYSA-N
MW459.21 g/mol
LogP6.07
Rot. Bonds2

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

4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 58129784) has the molecular formula C13H5Br2N3S3 and a molecular weight of 459.21 g/mol. Its IUPAC name is 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID58129784
Molecular FormulaC13H5Br2N3S3
Molecular Weight459.21 g/mol
Exact Mass456.80
IUPAC Name4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESBrc1ccc(-c2cnc(-c3ccc(Br)s3)c3nsnc23)s1
InChIInChI=1S/C13H5Br2N3S3/c14-9-3-1-7(19-9)6-5-16-12(8-2-4-10(15)20-8)13-11(6)17-21-18-13/h1-5H
InChIKeyXZHJMYMJWNTTBJ-UHFFFAOYSA-N
XLogP6.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.21
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467784
5,7-Bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
CID 58273752
7-Bromo-4-thienyl[1,2,5]thiadiazolo[3,4-c]pyridine
CID 67817383
7-Bromo-4-(4,4-dihexadecyl-6-(tributylstannyl)-4H-cyclopenta[1,2-b:5,4-b']dithiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89286639
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
4,7-Dithiophen-2-yl-[1,2]thiazolo[4,5-c]pyridine
CID 91008808
7-Bromo-4-(7,7-dihexadecyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 101544510
4,7-Bis[5-(2-fluoro-4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 121289302
7-Bromo-6-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 123947148
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

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 58129784) is 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine is Brc1ccc(-c2cnc(-c3ccc(Br)s3)c3nsnc23)s1.
What is the InChIKey of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is XZHJMYMJWNTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2N3S3/c14-9-3-1-7(19-9)6-5-16-12(8-2-4-10(15)20-8)13-11(6)17-21-18-13/h1-5H.
What are the key properties of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 459.21 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 58129784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).