2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole

C21H21N5S — CID 18136646

IUPAC2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2nc3ccccn3c2CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C21H21N5S/c1-2-6-17(7-3-1)20-18(26-10-5-4-8-19(26)23-20)16-24-11-13-25(14-12-24)21-22-9-15-27-21/h1-10,15H,11-14,16H2
InChIKeyPUPVSOMKHGVXFY-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.78
Rot. Bonds4

About 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole

2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 18136646) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID18136646
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2nc3ccccn3c2CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C21H21N5S/c1-2-6-17(7-3-1)20-18(26-10-5-4-8-19(26)23-20)16-24-11-13-25(14-12-24)21-22-9-15-27-21/h1-10,15H,11-14,16H2
InChIKeyPUPVSOMKHGVXFY-UHFFFAOYSA-N
XLogP3.78
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 18136646) is 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole is c1ccc(-c2nc3ccccn3c2CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is PUPVSOMKHGVXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c1-2-6-17(7-3-1)20-18(26-10-5-4-8-19(26)23-20)16-24-11-13-25(14-12-24)21-22-9-15-27-21/h1-10,15H,11-14,16H2.
What are the key properties of 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 375.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 18136646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).