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

C10H8N4O2S — CID 106758853

IUPAC6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCn1nccc1-c1cn2cc(C(=O)O)sc2n1
InChIInChI=1S/C10H8N4O2S/c1-13-7(2-3-11-13)6-4-14-5-8(9(15)16)17-10(14)12-6/h2-5H,1H3,(H,15,16)
InChIKeyNBWBHSURCGDZGU-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.49
Rot. Bonds2

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

6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 106758853) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID106758853
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCn1nccc1-c1cn2cc(C(=O)O)sc2n1
InChIInChI=1S/C10H8N4O2S/c1-13-7(2-3-11-13)6-4-14-5-8(9(15)16)17-10(14)12-6/h2-5H,1H3,(H,15,16)
InChIKeyNBWBHSURCGDZGU-UHFFFAOYSA-N
XLogP1.49
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 106758853) is 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cn1nccc1-c1cn2cc(C(=O)O)sc2n1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is NBWBHSURCGDZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-13-7(2-3-11-13)6-4-14-5-8(9(15)16)17-10(14)12-6/h2-5H,1H3,(H,15,16).
What are the key properties of 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 106758853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).