2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C16H10N6S — CID 90120342

IUPAC2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11/h1-10H
InChIKeyAAOXLMYJEUVCTB-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.12
Rot. Bonds3

About 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 90120342) has the molecular formula C16H10N6S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID90120342
Molecular FormulaC16H10N6S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1
InChIInChI=1S/C16H10N6S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11/h1-10H
InChIKeyAAOXLMYJEUVCTB-UHFFFAOYSA-N
XLogP3.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 90120342) is 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is c1cnc(-c2cccc(-c3cnc(-c4ccnnc4)s3)n2)nc1.
What is the InChIKey of 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is AAOXLMYJEUVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S/c1-3-12(22-13(4-1)15-17-6-2-7-18-15)14-10-19-16(23-14)11-5-8-20-21-9-11/h1-10H.
What are the key properties of 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 318.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 90120342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).