2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole

C11H8N4S — CID 58336852

IUPAC2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
SMILESc1cncc(-n2cc(-c3nccs3)cn2)c1
InChIInChI=1S/C11H8N4S/c1-2-10(7-12-3-1)15-8-9(6-14-15)11-13-4-5-16-11/h1-8H
InChIKeyPAJQLJJCQXLLBZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole

2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole (PubChem CID 58336852) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
PubChem CID58336852
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
SMILESc1cncc(-n2cc(-c3nccs3)cn2)c1
InChIInChI=1S/C11H8N4S/c1-2-10(7-12-3-1)15-8-9(6-14-15)11-13-4-5-16-11/h1-8H
InChIKeyPAJQLJJCQXLLBZ-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole (CID 58336852) is 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole is c1cncc(-n2cc(-c3nccs3)cn2)c1.
What is the InChIKey of 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is PAJQLJJCQXLLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-10(7-12-3-1)15-8-9(6-14-15)11-13-4-5-16-11/h1-8H.
What are the key properties of 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole?
2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 228.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 58336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).