2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid

C11H9N3O2S2 — CID 98022499

IUPAC2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
SMILESCc1nc2sc(-c3cccs3)nn2c1CC(=O)O
InChIInChI=1S/C11H9N3O2S2/c1-6-7(5-9(15)16)14-11(12-6)18-10(13-14)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,15,16)
InChIKeyIZPMXFYWUDALNC-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid

2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid (PubChem CID 98022499) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
PubChem CID98022499
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC Name2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
SMILESCc1nc2sc(-c3cccs3)nn2c1CC(=O)O
InChIInChI=1S/C11H9N3O2S2/c1-6-7(5-9(15)16)14-11(12-6)18-10(13-14)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,15,16)
InChIKeyIZPMXFYWUDALNC-UHFFFAOYSA-N
XLogP2.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
CID 116887132
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682
(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219651
[5-(4-bromophenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanol
CID 67123000
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 15954504
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
CID 82142028

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid (CID 98022499) is 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid is Cc1nc2sc(-c3cccs3)nn2c1CC(=O)O.
What is the InChIKey of 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid?
The InChIKey is IZPMXFYWUDALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c1-6-7(5-9(15)16)14-11(12-6)18-10(13-14)8-3-2-4-17-8/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid?
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid has a molecular weight of 279.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid is sourced from PubChem (CID 98022499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).