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

C12H12N4O2S — CID 115384554

IUPAC6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cn2cc(C(=O)O)sc2n1
InChIInChI=1S/C12H12N4O2S/c1-6-10(7(2)15(3)14-6)8-4-16-5-9(11(17)18)19-12(16)13-8/h4-5H,1-3H3,(H,17,18)
InChIKeyUTBJIIICGGOVSH-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.11
Rot. Bonds2

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

6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 115384554) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID115384554
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cn2cc(C(=O)O)sc2n1
InChIInChI=1S/C12H12N4O2S/c1-6-10(7(2)15(3)14-6)8-4-16-5-9(11(17)18)19-12(16)13-8/h4-5H,1-3H3,(H,17,18)
InChIKeyUTBJIIICGGOVSH-UHFFFAOYSA-N
XLogP2.11
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid with MolForge

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Related Compounds

methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384515
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 107355251
2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid
CID 81346417
3-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 63798219
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
4-(2-methylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360493
methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298999
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117091985
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
CID 164581256
5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 81111614
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 115384554) is 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1nn(C)c(C)c1-c1cn2cc(C(=O)O)sc2n1.
What is the InChIKey of 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is UTBJIIICGGOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-6-10(7(2)15(3)14-6)8-4-16-5-9(11(17)18)19-12(16)13-8/h4-5H,1-3H3,(H,17,18).
What are the key properties of 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 115384554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).