1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C20H22FN3O2S — CID 131691590

IUPAC1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C20H22FN3O2S/c1-14-22-17(13-27-14)19(26)23-9-7-20(8-10-23)6-5-18(25)24(20)12-15-3-2-4-16(21)11-15/h2-4,11,13H,5-10,12H2,1H3
InChIKeyBKQUKNBCWVYGKF-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.39
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131691590) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131691590
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C20H22FN3O2S/c1-14-22-17(13-27-14)19(26)23-9-7-20(8-10-23)6-5-18(25)24(20)12-15-3-2-4-16(21)11-15/h2-4,11,13H,5-10,12H2,1H3
InChIKeyBKQUKNBCWVYGKF-UHFFFAOYSA-N
XLogP3.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one 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

9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450559
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97397475
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450558
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
8-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-phenylmethoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687431
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131691590) is 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(C(=O)N2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)cs1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BKQUKNBCWVYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-14-22-17(13-27-14)19(26)23-9-7-20(8-10-23)6-5-18(25)24(20)12-15-3-2-4-16(21)11-15/h2-4,11,13H,5-10,12H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 387.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131691590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).