2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole

C5H3BrN4S3 — CID 64624757

IUPAC2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nnc(Br)s2)s1
InChIInChI=1S/C5H3BrN4S3/c1-2-7-9-4(11-2)13-5-10-8-3(6)12-5/h1H3
InChIKeyCSNHAHNKQPPFRC-UHFFFAOYSA-N
MW295.21 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole

2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 64624757) has the molecular formula C5H3BrN4S3 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
PubChem CID64624757
Molecular FormulaC5H3BrN4S3
Molecular Weight295.21 g/mol
Exact Mass293.87
IUPAC Name2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nnc(Br)s2)s1
InChIInChI=1S/C5H3BrN4S3/c1-2-7-9-4(11-2)13-5-10-8-3(6)12-5/h1H3
InChIKeyCSNHAHNKQPPFRC-UHFFFAOYSA-N
XLogP2.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole (CID 64624757) is 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole is Cc1nnc(Sc2nnc(Br)s2)s1.
What is the InChIKey of 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is CSNHAHNKQPPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4S3/c1-2-7-9-4(11-2)13-5-10-8-3(6)12-5/h1H3.
What are the key properties of 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 295.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 64624757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).