4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole

C14H11N3S — CID 44579608

IUPAC4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3ccccn3)cs2)nc1
InChIInChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2
InChIKeyPRDBWXKZNUDZAP-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.19
Rot. Bonds3

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

4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole (PubChem CID 44579608) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole
PubChem CID44579608
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3ccccn3)cs2)nc1
InChIInChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2
InChIKeyPRDBWXKZNUDZAP-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.19
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-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole (CID 44579608) is 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole is c1ccc(Cc2nc(-c3ccccn3)cs2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The InChIKey is PRDBWXKZNUDZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2.
What are the key properties of 4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
4-pyridin-2-yl-2-(pyridin-2-ylmethyl)-1,3-thiazole has a molecular weight of 253.33 g/mol, XLogP of 3.19, 3 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-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 44579608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).