thieno[2,3-d][1,3]thiazole;hydrobromide

C5H4BrNS2 — CID 175569917

IUPACthieno[2,3-d][1,3]thiazole;hydrobromide
SMILESBr.c1nc2sccc2s1
InChIInChI=1S/C5H3NS2.BrH/c1-2-7-5-4(1)8-3-6-5;/h1-3H;1H
InChIKeyXPYNSGRTQGJGNQ-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.94
Rot. Bonds

About thieno[2,3-d][1,3]thiazole;hydrobromide

thieno[2,3-d][1,3]thiazole;hydrobromide (PubChem CID 175569917) has the molecular formula C5H4BrNS2 and a molecular weight of 222.13 g/mol. Its IUPAC name is thieno[2,3-d][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Namethieno[2,3-d][1,3]thiazole;hydrobromide
PubChem CID175569917
Molecular FormulaC5H4BrNS2
Molecular Weight222.13 g/mol
Exact Mass220.90
IUPAC Namethieno[2,3-d][1,3]thiazole;hydrobromide
SMILESBr.c1nc2sccc2s1
InChIInChI=1S/C5H3NS2.BrH/c1-2-7-5-4(1)8-3-6-5;/h1-3H;1H
InChIKeyXPYNSGRTQGJGNQ-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-d][1,3]thiazole;hydrobromide?
The IUPAC name of thieno[2,3-d][1,3]thiazole;hydrobromide (CID 175569917) is thieno[2,3-d][1,3]thiazole;hydrobromide.
What is the SMILES notation for thieno[2,3-d][1,3]thiazole;hydrobromide?
The canonical SMILES for thieno[2,3-d][1,3]thiazole;hydrobromide is Br.c1nc2sccc2s1.
What is the InChIKey of thieno[2,3-d][1,3]thiazole;hydrobromide?
The InChIKey is XPYNSGRTQGJGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS2.BrH/c1-2-7-5-4(1)8-3-6-5;/h1-3H;1H.
What are the key properties of thieno[2,3-d][1,3]thiazole;hydrobromide?
thieno[2,3-d][1,3]thiazole;hydrobromide has a molecular weight of 222.13 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d][1,3]thiazole;hydrobromide is sourced from PubChem (CID 175569917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).