3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid

C10H8N4O2S — CID 82383564

IUPAC3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2cnc3sccn23)n1
InChIInChI=1S/C10H8N4O2S/c1-13-5-6(9(15)16)8(12-13)7-4-11-10-14(7)2-3-17-10/h2-5H,1H3,(H,15,16)
InChIKeyJXUJXFMKMFYRPZ-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.49
Rot. Bonds2

About 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid

3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid (PubChem CID 82383564) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid
PubChem CID82383564
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2cnc3sccn23)n1
InChIInChI=1S/C10H8N4O2S/c1-13-5-6(9(15)16)8(12-13)7-4-11-10-14(7)2-3-17-10/h2-5H,1H3,(H,15,16)
InChIKeyJXUJXFMKMFYRPZ-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 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid (CID 82383564) is 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2cnc3sccn23)n1.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid?
The InChIKey is JXUJXFMKMFYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-13-5-6(9(15)16)8(12-13)7-4-11-10-14(7)2-3-17-10/h2-5H,1H3,(H,15,16).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid?
3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-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 3-imidazo[2,1-b][1,3]thiazol-5-yl-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).