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

C13H9N3S — CID 119088487

IUPAC4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccnc3)n2)nc1
InChIInChI=1S/C13H9N3S/c1-2-7-15-11(5-1)12-9-17-13(16-12)10-4-3-6-14-8-10/h1-9H
InChIKeyKVBASBYSSGGLHL-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.27
Rot. Bonds2

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

4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 119088487) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
PubChem CID119088487
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccnc3)n2)nc1
InChIInChI=1S/C13H9N3S/c1-2-7-15-11(5-1)12-9-17-13(16-12)10-4-3-6-14-8-10/h1-9H
InChIKeyKVBASBYSSGGLHL-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-2-yl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole (CID 119088487) is 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole is c1ccc(-c2csc(-c3cccnc3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KVBASBYSSGGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-2-7-15-11(5-1)12-9-17-13(16-12)10-4-3-6-14-8-10/h1-9H.
What are the key properties of 4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole?
4-pyridin-2-yl-2-pyridin-3-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-2-yl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 119088487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).