4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole

C13H9N3S — CID 57384102

IUPAC4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole
SMILESc1cncc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H
InChIKeyRJSRAVGLLFFTHO-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.27
Rot. Bonds2

About 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole

4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole (PubChem CID 57384102) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole
PubChem CID57384102
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole
SMILESc1cncc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H
InChIKeyRJSRAVGLLFFTHO-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole (CID 57384102) is 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole is c1cncc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is RJSRAVGLLFFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H.
What are the key properties of 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole?
4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 239.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 57384102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).