3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C13H12N2O2S2 — CID 82035811

IUPAC3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3cccs3)cn12
InChIInChI=1S/C13H12N2O2S2/c1-2-4-9-11(12(16)17)19-13-14-8(7-15(9)13)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H,16,17)
InChIKeyVCTDVADVDDIASU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds4

About 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035811) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035811
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3cccs3)cn12
InChIInChI=1S/C13H12N2O2S2/c1-2-4-9-11(12(16)17)19-13-14-8(7-15(9)13)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H,16,17)
InChIKeyVCTDVADVDDIASU-UHFFFAOYSA-N
XLogP3.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271001
2-[3-(3,4-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035820
ethyl 4-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperazine-1-carboxylate
CID 42271077
6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114911018
2-thiophen-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 54973406
(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 90040324
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873

Frequently Asked Questions

What is the IUPAC name of 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035811) is 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3cccs3)cn12.
What is the InChIKey of 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is VCTDVADVDDIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-2-4-9-11(12(16)17)19-13-14-8(7-15(9)13)10-5-3-6-18-10/h3,5-7H,2,4H2,1H3,(H,16,17).
What are the key properties of 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).