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

C12H10N2O2S2 — CID 82062357

IUPAC2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESCc1csc2nc(-c3cccs3)c(CC(=O)O)n12
InChIInChI=1S/C12H10N2O2S2/c1-7-6-18-12-13-11(9-3-2-4-17-9)8(14(7)12)5-10(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXVSBZYYDRHTKJB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.06
Rot. Bonds3

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

2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (PubChem CID 82062357) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
PubChem CID82062357
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
SMILESCc1csc2nc(-c3cccs3)c(CC(=O)O)n12
InChIInChI=1S/C12H10N2O2S2/c1-7-6-18-12-13-11(9-3-2-4-17-9)8(14(7)12)5-10(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXVSBZYYDRHTKJB-UHFFFAOYSA-N
XLogP3.06
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-[5-methyl-3-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035806
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499
ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 102324722
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062345
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219651
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid (CID 82062357) is 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is Cc1csc2nc(-c3cccs3)c(CC(=O)O)n12.
What is the InChIKey of 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
The InChIKey is XVSBZYYDRHTKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c1-7-6-18-12-13-11(9-3-2-4-17-9)8(14(7)12)5-10(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid?
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid has a molecular weight of 278.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid is sourced from PubChem (CID 82062357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).