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

C24H23N5OS — CID 166628685

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCc1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc2n1
InChIInChI=1S/C24H23N5OS/c1-15-6-7-18-23(25-15)28-22(26-18)13-29-10-8-16(9-11-29)24-27-19(14-31-24)21-12-17-4-2-3-5-20(17)30-21/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,26,28)
InChIKeyFKLZEKMNTKMALS-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.52
Rot. Bonds4

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

4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166628685) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166628685
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCc1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc2n1
InChIInChI=1S/C24H23N5OS/c1-15-6-7-18-23(25-15)28-22(26-18)13-29-10-8-16(9-11-29)24-27-19(14-31-24)21-12-17-4-2-3-5-20(17)30-21/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,26,28)
InChIKeyFKLZEKMNTKMALS-UHFFFAOYSA-N
XLogP5.52
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166628685) is 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is Cc1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc2n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is FKLZEKMNTKMALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-15-6-7-18-23(25-15)28-22(26-18)13-29-10-8-16(9-11-29)24-27-19(14-31-24)21-12-17-4-2-3-5-20(17)30-21/h2-7,12,14,16H,8-11,13H2,1H3,(H,25,26,28).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 429.55 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166628685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).