N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

C27H30FN3O3S — CID 129456781

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 129456781) has the molecular formula C27H30FN3O3S and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 129456781
• Molecular Formula: C27H30FN3O3S
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.20
• IUPAC Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• SMILES: O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1
• InChI: InChI=1S/C27H30FN3O3S/c28-22-9-7-20(8-10-22)15-23-16-29-26(35-23)30-25(32)18-31-13-12-27(11-4-14-34-27)24(17-31)33-19-21-5-2-1-3-6-21/h1-3,5-10,16,24H,4,11-15,17-19H2,(H,29,30,32)/t24-,27-/m1/s1
• InChIKey: MYEAGERIMPXYGY-SHQCIBLASA-N
• XLogP: 4.65
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 129456781) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ncc(Cc2ccc(F)cc2)s1.

What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is MYEAGERIMPXYGY-SHQCIBLASA-N. The full InChI is InChI=1S/C27H30FN3O3S/c28-22-9-7-20(8-10-22)15-23-16-29-26(35-23)30-25(32)18-31-13-12-27(11-4-14-34-27)24(17-31)33-19-21-5-2-1-3-6-21/h1-3,5-10,16,24H,4,11-15,17-19H2,(H,29,30,32)/t24-,27-/m1/s1.

What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 495.62 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 129456781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).