2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride

C4HBrClN3O2S2 — CID 47003642

IUPAC2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2sc(Br)nn12
InChIInChI=1S/C4HBrClN3O2S2/c5-3-8-9-2(13(6,10)11)1-7-4(9)12-3/h1H
InChIKeyLCAQQRBVDSLLBW-UHFFFAOYSA-N
MW302.56 g/mol
LogP1.48
Rot. Bonds1

About 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride

2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride (PubChem CID 47003642) has the molecular formula C4HBrClN3O2S2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
PubChem CID47003642
Molecular FormulaC4HBrClN3O2S2
Molecular Weight302.56 g/mol
Exact Mass300.84
IUPAC Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc2sc(Br)nn12
InChIInChI=1S/C4HBrClN3O2S2/c5-3-8-9-2(13(6,10)11)1-7-4(9)12-3/h1H
InChIKeyLCAQQRBVDSLLBW-UHFFFAOYSA-N
XLogP1.48
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride?
The IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride (CID 47003642) is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride?
The canonical SMILES for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc2sc(Br)nn12.
What is the InChIKey of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride?
The InChIKey is LCAQQRBVDSLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClN3O2S2/c5-3-8-9-2(13(6,10)11)1-7-4(9)12-3/h1H.
What are the key properties of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride?
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride has a molecular weight of 302.56 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride is sourced from PubChem (CID 47003642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).