2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole

C11H12N4S — CID 167138730

IUPAC2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2cc(-c3cnn(C)c3C)sc12
InChIInChI=1S/C11H12N4S/c1-7-4-13-15-6-10(16-11(7)15)9-5-12-14(3)8(9)2/h4-6H,1-3H3
InChIKeyHJRCNFQYMJAPGZ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.41
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole

2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 167138730) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
PubChem CID167138730
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2cc(-c3cnn(C)c3C)sc12
InChIInChI=1S/C11H12N4S/c1-7-4-13-15-6-10(16-11(7)15)9-5-12-14(3)8(9)2/h4-6H,1-3H3
InChIKeyHJRCNFQYMJAPGZ-UHFFFAOYSA-N
XLogP2.41
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole (CID 167138730) is 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole is Cc1cnn2cc(-c3cnn(C)c3C)sc12.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is HJRCNFQYMJAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-4-13-15-6-10(16-11(7)15)9-5-12-14(3)8(9)2/h4-6H,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 232.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 167138730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).