N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C25H37N3OS — CID 45197682

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 45197682) has the molecular formula C25H37N3OS and a molecular weight of 427.66 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
• PubChem CID: 45197682
• Molecular Formula: C25H37N3OS
• Molecular Weight: 427.66 g/mol
• Exact Mass: 427.27
• IUPAC Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
• SMILES: COCCN(Cc1nc(C(C)C)cs1)CC1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C25H37N3OS/c1-19(2)24-18-30-25(26-24)17-27(11-12-29-3)15-20-7-6-10-28(16-20)23-13-21-8-4-5-9-22(21)14-23/h4-5,8-9,18-20,23H,6-7,10-17H2,1-3H3
• InChIKey: AVFNCYGTBPFGFE-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 28.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.66
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?

The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 45197682) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?

The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is COCCN(Cc1nc(C(C)C)cs1)CC1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?

The InChIKey is AVFNCYGTBPFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3OS/c1-19(2)24-18-30-25(26-24)17-27(11-12-29-3)15-20-7-6-10-28(16-20)23-13-21-8-4-5-9-22(21)14-23/h4-5,8-9,18-20,23H,6-7,10-17H2,1-3H3.

What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 427.66 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45197682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).