2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole

C13H10N4OS — CID 142517392

IUPAC2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole
SMILESc1ccc(-c2ncc(OCc3nccs3)cn2)nc1
InChIInChI=1S/C13H10N4OS/c1-2-4-14-11(3-1)13-16-7-10(8-17-13)18-9-12-15-5-6-19-12/h1-8H,9H2
InChIKeyXCFZLJNKGPNRAI-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.57
Rot. Bonds4

About 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole

2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole (PubChem CID 142517392) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole
PubChem CID142517392
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole
SMILESc1ccc(-c2ncc(OCc3nccs3)cn2)nc1
InChIInChI=1S/C13H10N4OS/c1-2-4-14-11(3-1)13-16-7-10(8-17-13)18-9-12-15-5-6-19-12/h1-8H,9H2
InChIKeyXCFZLJNKGPNRAI-UHFFFAOYSA-N
XLogP2.57
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole (CID 142517392) is 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole is c1ccc(-c2ncc(OCc3nccs3)cn2)nc1.
What is the InChIKey of 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole?
The InChIKey is XCFZLJNKGPNRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-2-4-14-11(3-1)13-16-7-10(8-17-13)18-9-12-15-5-6-19-12/h1-8H,9H2.
What are the key properties of 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole?
2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole has a molecular weight of 270.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 142517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).