(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

C17H23F2N3OS — CID 125220060

IUPAC(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
SMILESCc1ncsc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C17H23F2N3OS/c1-12-14(24-11-20-12)7-21-6-5-16(8-21)4-2-3-13(16)15(23)22-9-17(18,19)10-22/h11,13H,2-10H2,1H3/t13-,16-/m0/s1
InChIKeyUKVKDLGIOPEHRC-BBRMVZONSA-N
MW355.45 g/mol
LogP2.92
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone

(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (PubChem CID 125220060) has the molecular formula C17H23F2N3OS and a molecular weight of 355.45 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
PubChem CID125220060
Molecular FormulaC17H23F2N3OS
Molecular Weight355.45 g/mol
Exact Mass355.15
IUPAC Name(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
SMILESCc1ncsc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C17H23F2N3OS/c1-12-14(24-11-20-12)7-21-6-5-16(8-21)4-2-3-13(16)15(23)22-9-17(18,19)10-22/h11,13H,2-10H2,1H3/t13-,16-/m0/s1
InChIKeyUKVKDLGIOPEHRC-BBRMVZONSA-N
XLogP2.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone with MolForge

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98894808
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689977
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 131645555
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124797033
2-methoxy-N-[[(5R,7S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]acetamide
CID 97474810

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone (CID 125220060) is (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is Cc1ncsc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
The InChIKey is UKVKDLGIOPEHRC-BBRMVZONSA-N. The full InChI is InChI=1S/C17H23F2N3OS/c1-12-14(24-11-20-12)7-21-6-5-16(8-21)4-2-3-13(16)15(23)22-9-17(18,19)10-22/h11,13H,2-10H2,1H3/t13-,16-/m0/s1.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone is sourced from PubChem (CID 125220060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).