2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole

C8H9N3S — CID 139386122

IUPAC2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)nn1C
InChIInChI=1S/C8H9N3S/c1-6-5-7(10-11(6)2)8-9-3-4-12-8/h3-5H,1-2H3
InChIKeyKFFWYGPRGRITRY-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.85
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole

2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole (PubChem CID 139386122) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
PubChem CID139386122
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)nn1C
InChIInChI=1S/C8H9N3S/c1-6-5-7(10-11(6)2)8-9-3-4-12-8/h3-5H,1-2H3
InChIKeyKFFWYGPRGRITRY-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole (CID 139386122) is 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole is Cc1cc(-c2nccs2)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole?
The InChIKey is KFFWYGPRGRITRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-5-7(10-11(6)2)8-9-3-4-12-8/h3-5H,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole?
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 139386122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).