(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C18H24FN3O2S — CID 131689425

IUPAC(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3CC(F)C3)CC2)C1
InChIInChI=1S/C18H24FN3O2S/c19-14-8-13(9-14)16(23)21-6-3-18(4-7-21)2-1-5-22(11-18)17(24)15-10-25-12-20-15/h10,12-14H,1-9,11H2
InChIKeyRVBUSRDYFHNHGK-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.74
Rot. Bonds2

About (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131689425) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131689425
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC Name(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3CC(F)C3)CC2)C1
InChIInChI=1S/C18H24FN3O2S/c19-14-8-13(9-14)16(23)21-6-3-18(4-7-21)2-1-5-22(11-18)17(24)15-10-25-12-20-15/h10,12-14H,1-9,11H2
InChIKeyRVBUSRDYFHNHGK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131689425) is (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1cscn1)N1CCCC2(CCN(C(=O)C3CC(F)C3)CC2)C1.
What is the InChIKey of (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is RVBUSRDYFHNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c19-14-8-13(9-14)16(23)21-6-3-18(4-7-21)2-1-5-22(11-18)17(24)15-10-25-12-20-15/h10,12-14H,1-9,11H2.
What are the key properties of (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 365.47 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131689425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).