N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C31H32N6O3S — CID 46244963

About N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 46244963) has the molecular formula C31H32N6O3S and a molecular weight of 568.70 g/mol. Its IUPAC name is N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 46244963
• Molecular Formula: C31H32N6O3S
• Molecular Weight: 568.70 g/mol
• Exact Mass: 568.23
• IUPAC Name: N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
• SMILES: COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4nc(-c5ccccc5)oc4C)nc3c2)CC1
• InChI: InChI=1S/C31H32N6O3S/c1-21-27(35-29(40-21)23-8-4-3-5-9-23)28(38)33-25-11-7-6-10-24(25)30-34-26-18-22(19-32-31(26)41-30)20-37-14-12-36(13-15-37)16-17-39-2/h3-11,18-19H,12-17,20H2,1-2H3,(H,33,38)
• InChIKey: VAZHLHGGLLTGJF-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 96.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.70
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 46244963) is N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4nc(-c5ccccc5)oc4C)nc3c2)CC1.

What is the InChIKey of N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is VAZHLHGGLLTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O3S/c1-21-27(35-29(40-21)23-8-4-3-5-9-23)28(38)33-25-11-7-6-10-24(25)30-34-26-18-22(19-32-31(26)41-30)20-37-14-12-36(13-15-37)16-17-39-2/h3-11,18-19H,12-17,20H2,1-2H3,(H,33,38).

What are the key properties of N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?

N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 568.70 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46244963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).