2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole

C12H8N4S — CID 91664202

IUPAC2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
SMILESc1cc(-c2ncc(-c3ccncn3)s2)ccn1
InChIInChI=1S/C12H8N4S/c1-4-13-5-2-9(1)12-15-7-11(17-12)10-3-6-14-8-16-10/h1-8H
InChIKeyUJEVJUJBSIHOAT-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.66
Rot. Bonds2

About 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole

2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole (PubChem CID 91664202) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
PubChem CID91664202
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
SMILESc1cc(-c2ncc(-c3ccncn3)s2)ccn1
InChIInChI=1S/C12H8N4S/c1-4-13-5-2-9(1)12-15-7-11(17-12)10-3-6-14-8-16-10/h1-8H
InChIKeyUJEVJUJBSIHOAT-UHFFFAOYSA-N
XLogP2.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole?
The IUPAC name of 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole (CID 91664202) is 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole is c1cc(-c2ncc(-c3ccncn3)s2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole?
The InChIKey is UJEVJUJBSIHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-4-13-5-2-9(1)12-15-7-11(17-12)10-3-6-14-8-16-10/h1-8H.
What are the key properties of 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole?
2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole has a molecular weight of 240.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole is sourced from PubChem (CID 91664202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).