2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole

C21H21N5OS — CID 90368208

IUPAC2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
SMILESc1ccc(OCc2nc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cs2)cc1
InChIInChI=1S/C21H21N5OS/c1-2-4-16(5-3-1)27-12-19-24-18(13-28-19)21-25-17-10-15(11-23-20(17)26-21)14-6-8-22-9-7-14/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,25,26)
InChIKeyBLOHJIMCWAKPMH-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.13
Rot. Bonds5

About 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole

2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole (PubChem CID 90368208) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
PubChem CID90368208
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole
SMILESc1ccc(OCc2nc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cs2)cc1
InChIInChI=1S/C21H21N5OS/c1-2-4-16(5-3-1)27-12-19-24-18(13-28-19)21-25-17-10-15(11-23-20(17)26-21)14-6-8-22-9-7-14/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,25,26)
InChIKeyBLOHJIMCWAKPMH-UHFFFAOYSA-N
XLogP4.13
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole (CID 90368208) is 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole is c1ccc(OCc2nc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cs2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
The InChIKey is BLOHJIMCWAKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-2-4-16(5-3-1)27-12-19-24-18(13-28-19)21-25-17-10-15(11-23-20(17)26-21)14-6-8-22-9-7-14/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,25,26).
What are the key properties of 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole?
2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole has a molecular weight of 391.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazole is sourced from PubChem (CID 90368208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).