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

C22H28FN3O2S — CID 110167471

IUPAC2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1(C)CC2(CCN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CO1
InChIInChI=1S/C22H28FN3O2S/c1-21(2)14-22(15-28-21)7-9-26(10-8-22)13-19(27)25-20-24-12-18(29-20)11-16-3-5-17(23)6-4-16/h3-6,12H,7-11,13-15H2,1-2H3,(H,24,25,27)
InChIKeyAXTYHHBSUAWCDM-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.09
Rot. Bonds5

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

2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 110167471) has the molecular formula C22H28FN3O2S and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID110167471
Molecular FormulaC22H28FN3O2S
Molecular Weight417.55 g/mol
Exact Mass417.19
IUPAC Name2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1(C)CC2(CCN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CO1
InChIInChI=1S/C22H28FN3O2S/c1-21(2)14-22(15-28-21)7-9-26(10-8-22)13-19(27)25-20-24-12-18(29-20)11-16-3-5-17(23)6-4-16/h3-6,12H,7-11,13-15H2,1-2H3,(H,24,25,27)
InChIKeyAXTYHHBSUAWCDM-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124984231
(3S,4S)-1-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120650
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
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
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034915
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7454406
2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 155991207
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17034994
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110167461

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 110167471) is 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC1(C)CC2(CCN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)CO1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AXTYHHBSUAWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2S/c1-21(2)14-22(15-28-21)7-9-26(10-8-22)13-19(27)25-20-24-12-18(29-20)11-16-3-5-17(23)6-4-16/h3-6,12H,7-11,13-15H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 110167471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).