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

C12H10N4O2S — CID 55078781

IUPAC6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-n2ccc(C3CC3)n2)nc2sccn12
InChIInChI=1S/C12H10N4O2S/c17-11(18)9-10(13-12-15(9)5-6-19-12)16-4-3-8(14-16)7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyIBYAHYVONVZXOQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.16
Rot. Bonds3

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

6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 55078781) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID55078781
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-n2ccc(C3CC3)n2)nc2sccn12
InChIInChI=1S/C12H10N4O2S/c17-11(18)9-10(13-12-15(9)5-6-19-12)16-4-3-8(14-16)7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyIBYAHYVONVZXOQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole
CID 62489333
6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 64780586
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
6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
6-(3-propylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113417949
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765
6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62993454
6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63607673
2-(3-cyclopropylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 62493957
6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63158673
6-phenoxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475881
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 114460458

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 55078781) is 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(-n2ccc(C3CC3)n2)nc2sccn12.
What is the InChIKey of 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is IBYAHYVONVZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-11(18)9-10(13-12-15(9)5-6-19-12)16-4-3-8(14-16)7-1-2-7/h3-7H,1-2H2,(H,17,18).
What are the key properties of 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 274.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 55078781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).