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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Related Compounds

4H-pyrrolo[2,3-d][1,3]thiazole
CID 18442761
4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 134966546
hydron;thieno[3,2-b]thiophene
CID 174437334
thieno[2,3-d][1,3]thiazol-5-amine
CID 69289738
4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 121433174
1,3-benzothiazole;trihydrochloride
CID 162189976
octakis(1,3-benzothiazole);sulfane
CID 173324926
azane;1,3-benzothiazole
CID 68815700
1,3-benzothiazole;zinc
CID 66588590
3-(1,3-benzothiazol-6-yl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 107806438
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 159428427

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).