6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C13H17N3O2S — CID 113417949

IUPAC6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCC1CCN(c2nc3sccn3c2C(=O)O)C1
InChIInChI=1S/C13H17N3O2S/c1-2-3-9-4-5-15(8-9)11-10(12(17)18)16-6-7-19-13(16)14-11/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyWGWGJBPNSHUIPM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.72
Rot. Bonds4

About 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 113417949) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID113417949
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCC1CCN(c2nc3sccn3c2C(=O)O)C1
InChIInChI=1S/C13H17N3O2S/c1-2-3-9-4-5-15(8-9)11-10(12(17)18)16-6-7-19-13(16)14-11/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyWGWGJBPNSHUIPM-UHFFFAOYSA-N
XLogP2.72
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113335844
2-[1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798563
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)pyrrolidin-3-yl]ethanol
CID 115657955
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62993454
6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63273833
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693

Frequently Asked Questions

What is the IUPAC name of 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 113417949) is 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCC1CCN(c2nc3sccn3c2C(=O)O)C1.
What is the InChIKey of 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is WGWGJBPNSHUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-3-9-4-5-15(8-9)11-10(12(17)18)16-6-7-19-13(16)14-11/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 113417949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).