2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole

C5H2BrN3S3 — CID 79400057

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
SMILESBrc1csc(Sc2nncs2)n1
InChIInChI=1S/C5H2BrN3S3/c6-3-1-10-4(8-3)12-5-9-7-2-11-5/h1-2H
InChIKeyNAPMCKOWGOMKCK-UHFFFAOYSA-N
MW280.20 g/mol
LogP2.91
Rot. Bonds2

About 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole

2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 79400057) has the molecular formula C5H2BrN3S3 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
PubChem CID79400057
Molecular FormulaC5H2BrN3S3
Molecular Weight280.20 g/mol
Exact Mass278.86
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
SMILESBrc1csc(Sc2nncs2)n1
InChIInChI=1S/C5H2BrN3S3/c6-3-1-10-4(8-3)12-5-9-7-2-11-5/h1-2H
InChIKeyNAPMCKOWGOMKCK-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole (CID 79400057) is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole is Brc1csc(Sc2nncs2)n1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is NAPMCKOWGOMKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrN3S3/c6-3-1-10-4(8-3)12-5-9-7-2-11-5/h1-2H.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole?
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 280.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 79400057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).