9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C19H27F2N3OS — CID 131678857

IUPAC9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCCN(CC2CC(F)(F)C2)CC3)cs1
InChIInChI=1S/C19H27F2N3OS/c1-14-22-16(13-26-14)12-24-17(25)3-5-18(24)4-2-7-23(8-6-18)11-15-9-19(20,21)10-15/h13,15H,2-12H2,1H3
InChIKeyYBZUWWTUOOPJJI-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.84
Rot. Bonds4

About 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131678857) has the molecular formula C19H27F2N3OS and a molecular weight of 383.51 g/mol. Its IUPAC name is 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131678857
Molecular FormulaC19H27F2N3OS
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCCN(CC2CC(F)(F)C2)CC3)cs1
InChIInChI=1S/C19H27F2N3OS/c1-14-22-16(13-26-14)12-24-17(25)3-5-18(24)4-2-7-23(8-6-18)11-15-9-19(20,21)10-15/h13,15H,2-12H2,1H3
InChIKeyYBZUWWTUOOPJJI-UHFFFAOYSA-N
XLogP3.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one with MolForge

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Related Compounds

Cyclobutyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53623785
2-Cyclopentyl-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56812935
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905355
cyclopropyl-[(5R)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399361
cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399362
(5R)-9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 129546585
(5S)-9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 129546586
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281
9-(1-Fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131685193
(3aR,6aS)-2-(3,3-difluorocyclobutanecarbonyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131691015
1-[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one
CID 131691167
[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone
CID 131691174

Frequently Asked Questions

What is the IUPAC name of 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131678857) is 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is Cc1nc(CN2C(=O)CCC23CCCN(CC2CC(F)(F)C2)CC3)cs1.
What is the InChIKey of 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is YBZUWWTUOOPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3OS/c1-14-22-16(13-26-14)12-24-17(25)3-5-18(24)4-2-7-23(8-6-18)11-15-9-19(20,21)10-15/h13,15H,2-12H2,1H3.
What are the key properties of 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 383.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131678857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).