2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole

C10H7BrN4S2 — CID 75505512

IUPAC2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESBrc1ccc2nc(CSc3nncs3)[nH]c2c1
InChIInChI=1S/C10H7BrN4S2/c11-6-1-2-7-8(3-6)14-9(13-7)4-16-10-15-12-5-17-10/h1-3,5H,4H2,(H,13,14)
InChIKeyMELRLZGTEWASFQ-UHFFFAOYSA-N
MW327.23 g/mol
LogP3.47
Rot. Bonds3

About 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole

2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 75505512) has the molecular formula C10H7BrN4S2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID75505512
Molecular FormulaC10H7BrN4S2
Molecular Weight327.23 g/mol
Exact Mass325.93
IUPAC Name2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESBrc1ccc2nc(CSc3nncs3)[nH]c2c1
InChIInChI=1S/C10H7BrN4S2/c11-6-1-2-7-8(3-6)14-9(13-7)4-16-10-15-12-5-17-10/h1-3,5H,4H2,(H,13,14)
InChIKeyMELRLZGTEWASFQ-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 75505512) is 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole is Brc1ccc2nc(CSc3nncs3)[nH]c2c1.
What is the InChIKey of 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is MELRLZGTEWASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S2/c11-6-1-2-7-8(3-6)14-9(13-7)4-16-10-15-12-5-17-10/h1-3,5H,4H2,(H,13,14).
What are the key properties of 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 327.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 75505512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).