2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

C22H22ClN5S — CID 129237786

IUPAC2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESClc1ccc(-n2c(-c3cnc(C4CCCNCCC4)s3)nc3ccncc32)cc1
InChIInChI=1S/C22H22ClN5S/c23-16-5-7-17(8-6-16)28-19-13-25-12-9-18(19)27-21(28)20-14-26-22(29-20)15-3-1-10-24-11-2-4-15/h5-9,12-15,24H,1-4,10-11H2
InChIKeyVJHOAQRMBLORGK-UHFFFAOYSA-N
MW423.97 g/mol
LogP5.44
Rot. Bonds3

About 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (PubChem CID 129237786) has the molecular formula C22H22ClN5S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
PubChem CID129237786
Molecular FormulaC22H22ClN5S
Molecular Weight423.97 g/mol
Exact Mass423.13
IUPAC Name2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESClc1ccc(-n2c(-c3cnc(C4CCCNCCC4)s3)nc3ccncc32)cc1
InChIInChI=1S/C22H22ClN5S/c23-16-5-7-17(8-6-16)28-19-13-25-12-9-18(19)27-21(28)20-14-26-22(29-20)15-3-1-10-24-11-2-4-15/h5-9,12-15,24H,1-4,10-11H2
InChIKeyVJHOAQRMBLORGK-UHFFFAOYSA-N
XLogP5.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997
3-(4-chlorophenyl)-2-(3H-pyrrol-4-yl)imidazo[4,5-c]pyridine
CID 148599563
amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
CID 135215337
3-(4-chlorophenyl)-2-(1-pyridin-4-ylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 118961547
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348
1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
CID 90421605
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
5-(5-methyl-2-pyridinyl)-2-piperidin-4-yl-1,3-thiazole
CID 134494684
5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 118427022
1-cyclopropyl-4-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 90421691
N'-[[3-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 138566863

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (CID 129237786) is 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is Clc1ccc(-n2c(-c3cnc(C4CCCNCCC4)s3)nc3ccncc32)cc1.
What is the InChIKey of 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The InChIKey is VJHOAQRMBLORGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5S/c23-16-5-7-17(8-6-16)28-19-13-25-12-9-18(19)27-21(28)20-14-26-22(29-20)15-3-1-10-24-11-2-4-15/h5-9,12-15,24H,1-4,10-11H2.
What are the key properties of 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole has a molecular weight of 423.97 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-5-yl)-5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 129237786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).