6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H12N4O3S — CID 116801912

IUPAC6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCn1cc(Oc2nc3sccn3c2C(=O)O)cn1
InChIInChI=1S/C12H12N4O3S/c1-2-3-15-7-8(6-13-15)19-10-9(11(17)18)16-4-5-20-12(16)14-10/h4-7H,2-3H2,1H3,(H,17,18)
InChIKeyQDZWSLJHSWSALZ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.49
Rot. Bonds5

About 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 116801912) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID116801912
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCn1cc(Oc2nc3sccn3c2C(=O)O)cn1
InChIInChI=1S/C12H12N4O3S/c1-2-3-15-7-8(6-13-15)19-10-9(11(17)18)16-4-5-20-12(16)14-10/h4-7H,2-3H2,1H3,(H,17,18)
InChIKeyQDZWSLJHSWSALZ-UHFFFAOYSA-N
XLogP2.49
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-phenoxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475881
6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475866
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
6-(4-cyanophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475883
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116803994
(E)-3-[6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 116793182
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83234799
6-(2-chloro-5-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475907
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475795

Frequently Asked Questions

What is the IUPAC name of 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 116801912) is 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCn1cc(Oc2nc3sccn3c2C(=O)O)cn1.
What is the InChIKey of 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is QDZWSLJHSWSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-3-15-7-8(6-13-15)19-10-9(11(17)18)16-4-5-20-12(16)14-10/h4-7H,2-3H2,1H3,(H,17,18).
What are the key properties of 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 116801912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).