2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C9H6BrN3S2 — CID 61334124

IUPAC2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2cccs2)nc2sc(Br)nn12
InChIInChI=1S/C9H6BrN3S2/c1-5-7(6-3-2-4-14-6)11-9-13(5)12-8(10)15-9/h2-4H,1H3
InChIKeyHIFRTOYNRLKSHC-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.59
Rot. Bonds1

About 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole

2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 61334124) has the molecular formula C9H6BrN3S2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID61334124
Molecular FormulaC9H6BrN3S2
Molecular Weight300.21 g/mol
Exact Mass298.92
IUPAC Name2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2cccs2)nc2sc(Br)nn12
InChIInChI=1S/C9H6BrN3S2/c1-5-7(6-3-2-4-14-6)11-9-13(5)12-8(10)15-9/h2-4H,1H3
InChIKeyHIFRTOYNRLKSHC-UHFFFAOYSA-N
XLogP3.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068792
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035798
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
6-bromo-3-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-8-amine
CID 93206482
(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219651
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 11529913
6-[(5-methylpyrazol-1-yl)methyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 19617233
2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035806
(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 42731294
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
CID 79831085

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 61334124) is 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1c(-c2cccs2)nc2sc(Br)nn12.
What is the InChIKey of 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HIFRTOYNRLKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3S2/c1-5-7(6-3-2-4-14-6)11-9-13(5)12-8(10)15-9/h2-4H,1H3.
What are the key properties of 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 300.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 61334124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).