[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone

C18H24FN3O2S — CID 131688902

IUPAC[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C18H24FN3O2S/c19-18(4-1-5-18)16(24)21-9-6-17(7-10-21)3-2-8-22(12-17)15(23)14-11-25-13-20-14/h11,13H,1-10,12H2
InChIKeyPBKOILADGZVUJN-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.88
Rot. Bonds2

About [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone

[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131688902) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131688902
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC Name[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C18H24FN3O2S/c19-18(4-1-5-18)16(24)21-9-6-17(7-10-21)3-2-8-22(12-17)15(23)14-11-25-13-20-14/h11,13H,1-10,12H2
InChIKeyPBKOILADGZVUJN-UHFFFAOYSA-N
XLogP2.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 131688902) is [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CCC3)CC2)C1.
What is the InChIKey of [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PBKOILADGZVUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c19-18(4-1-5-18)16(24)21-9-6-17(7-10-21)3-2-8-22(12-17)15(23)14-11-25-13-20-14/h11,13H,1-10,12H2.
What are the key properties of [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
[9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 365.47 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131688902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).