2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C17H11N5S — CID 44598572

IUPAC2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H11N5S/c1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-11H
InChIKeyKRYQDBFHAFVBSW-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.72
Rot. Bonds3

About 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 44598572) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID44598572
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESc1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C17H11N5S/c1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-11H
InChIKeyKRYQDBFHAFVBSW-UHFFFAOYSA-N
XLogP3.72
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 44598572) is 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is c1cnc(-c2cccc(-c3cnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is KRYQDBFHAFVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c1-5-13(22-14(6-1)16-19-8-3-9-20-16)15-11-21-17(23-15)12-4-2-7-18-10-12/h1-11H.
What are the key properties of 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 317.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 44598572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).