5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole

C24H26N8OS — CID 53476125

IUPAC5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
SMILESCOCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCN(C)CC3)nccc21
InChIInChI=1S/C24H26N8OS/c1-30-7-9-31(10-8-30)24-21-19(5-6-25-24)32(11-12-33-2)23(29-21)18-14-26-22(28-18)16-3-4-20-17(13-16)27-15-34-20/h3-6,13-15H,7-12H2,1-2H3,(H,26,28)
InChIKeyOGVFFOZNSMRURD-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.50
Rot. Bonds6

About 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole

5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole (PubChem CID 53476125) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
PubChem CID53476125
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
SMILESCOCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCN(C)CC3)nccc21
InChIInChI=1S/C24H26N8OS/c1-30-7-9-31(10-8-30)24-21-19(5-6-25-24)32(11-12-33-2)23(29-21)18-14-26-22(28-18)16-3-4-20-17(13-16)27-15-34-20/h3-6,13-15H,7-12H2,1-2H3,(H,26,28)
InChIKeyOGVFFOZNSMRURD-UHFFFAOYSA-N
XLogP3.50
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole (CID 53476125) is 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole is COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2c(N3CCN(C)CC3)nccc21.
What is the InChIKey of 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole?
The InChIKey is OGVFFOZNSMRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-30-7-9-31(10-8-30)24-21-19(5-6-25-24)32(11-12-33-2)23(29-21)18-14-26-22(28-18)16-3-4-20-17(13-16)27-15-34-20/h3-6,13-15H,7-12H2,1-2H3,(H,26,28).
What are the key properties of 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole?
5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole has a molecular weight of 474.59 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 53476125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).