2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole

C15H10N6S — CID 90120297

IUPAC2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnn(-c4nccs4)c3)n2)nc1
InChIInChI=1S/C15H10N6S/c1-3-12(20-13(4-1)14-16-5-2-6-17-14)11-9-19-21(10-11)15-18-7-8-22-15/h1-10H
InChIKeyZFXXSYPKRHUUDI-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole

2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 90120297) has the molecular formula C15H10N6S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID90120297
Molecular FormulaC15H10N6S
Molecular Weight306.35 g/mol
Exact Mass306.07
IUPAC Name2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnn(-c4nccs4)c3)n2)nc1
InChIInChI=1S/C15H10N6S/c1-3-12(20-13(4-1)14-16-5-2-6-17-14)11-9-19-21(10-11)15-18-7-8-22-15/h1-10H
InChIKeyZFXXSYPKRHUUDI-UHFFFAOYSA-N
XLogP2.85
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole (CID 90120297) is 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole is c1cnc(-c2cccc(-c3cnn(-c4nccs4)c3)n2)nc1.
What is the InChIKey of 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is ZFXXSYPKRHUUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6S/c1-3-12(20-13(4-1)14-16-5-2-6-17-14)11-9-19-21(10-11)15-18-7-8-22-15/h1-10H.
What are the key properties of 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole?
2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 306.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyrimidin-2-yl-2-pyridinyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 90120297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).