4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole

C11H8N4OS — CID 50940355

IUPAC4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole
SMILESc1ccc(Oc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C11H8N4OS/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)
InChIKeyUQPCQNYVYQRHSX-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.72
Rot. Bonds3

About 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole

4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole (PubChem CID 50940355) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole
PubChem CID50940355
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole
SMILESc1ccc(Oc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C11H8N4OS/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)
InChIKeyUQPCQNYVYQRHSX-UHFFFAOYSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole?
The IUPAC name of 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole (CID 50940355) is 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole is c1ccc(Oc2nc(-c3cn[nH]c3)cs2)nc1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole?
The InChIKey is UQPCQNYVYQRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14).
What are the key properties of 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole?
4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole has a molecular weight of 244.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-2-pyridin-2-yloxy-1,3-thiazole is sourced from PubChem (CID 50940355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).