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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Related Compounds

3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51312105
8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56886172
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920

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).