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

C7H7N3S — CID 82881443

IUPAC2-(5-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1ccnn1-c1nccs1
InChIInChI=1S/C7H7N3S/c1-6-2-3-9-10(6)7-8-4-5-11-7/h2-5H,1H3
InChIKeyGTRUMNXGSXEHEG-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.64
Rot. Bonds1

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

2-(5-methylpyrazol-1-yl)-1,3-thiazole (PubChem CID 82881443) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-1,3-thiazole
PubChem CID82881443
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(5-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1ccnn1-c1nccs1
InChIInChI=1S/C7H7N3S/c1-6-2-3-9-10(6)7-8-4-5-11-7/h2-5H,1H3
InChIKeyGTRUMNXGSXEHEG-UHFFFAOYSA-N
XLogP1.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-1,3-thiazole (CID 82881443) is 2-(5-methylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1,3-thiazole is Cc1ccnn1-c1nccs1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is GTRUMNXGSXEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-6-2-3-9-10(6)7-8-4-5-11-7/h2-5H,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)-1,3-thiazole?
2-(5-methylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 82881443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).