2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole

C14H11N3OS — CID 57384103

IUPAC2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
SMILESCOc1cc(-c2nc(-c3cccnc3)cs2)ccn1
InChIInChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyQLNODILXMAEXNY-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.28
Rot. Bonds3

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

2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole (PubChem CID 57384103) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
PubChem CID57384103
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
SMILESCOc1cc(-c2nc(-c3cccnc3)cs2)ccn1
InChIInChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyQLNODILXMAEXNY-UHFFFAOYSA-N
XLogP3.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole (CID 57384103) is 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole is COc1cc(-c2nc(-c3cccnc3)cs2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is QLNODILXMAEXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 269.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 57384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).