N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

C26H28FN3O3S — CID 175655212

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESO=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C26H28FN3O3S/c27-22-10-5-4-9-20(22)13-21-14-28-25(34-21)29-24(31)16-30-15-23(26(18-30)11-6-12-33-26)32-17-19-7-2-1-3-8-19/h1-5,7-10,14,23H,6,11-13,15-18H2,(H,28,29,31)/t23-,26-/m0/s1
InChIKeyZIAOWYYJIZWALP-OZXSUGGESA-N
MW481.59 g/mol
LogP4.26
Rot. Bonds8

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 175655212) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
PubChem CID175655212
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESO=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C26H28FN3O3S/c27-22-10-5-4-9-20(22)13-21-14-28-25(34-21)29-24(31)16-30-15-23(26(18-30)11-6-12-33-26)32-17-19-7-2-1-3-8-19/h1-5,7-10,14,23H,6,11-13,15-18H2,(H,28,29,31)/t23-,26-/m0/s1
InChIKeyZIAOWYYJIZWALP-OZXSUGGESA-N
XLogP4.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167128
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125020638
N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
(5S,9S)-7-(1H-imidazol-2-ylmethyl)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110155638
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (CID 175655212) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ncc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is ZIAOWYYJIZWALP-OZXSUGGESA-N. The full InChI is InChI=1S/C26H28FN3O3S/c27-22-10-5-4-9-20(22)13-21-14-28-25(34-21)29-24(31)16-30-15-23(26(18-30)11-6-12-33-26)32-17-19-7-2-1-3-8-19/h1-5,7-10,14,23H,6,11-13,15-18H2,(H,28,29,31)/t23-,26-/m0/s1.
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 175655212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).