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

C17H24FN3O2S — CID 131684999

IUPAC(1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(N1CCC2(CC1)CN(Cc1nccs1)CCO2)C1(F)CCC1
InChIInChI=1S/C17H24FN3O2S/c18-17(2-1-3-17)15(22)21-7-4-16(5-8-21)13-20(9-10-23-16)12-14-19-6-11-24-14/h6,11H,1-5,7-10,12-13H2
InChIKeyYVJBBGVLKDMFBN-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.23
Rot. Bonds3

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

(1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131684999) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131684999
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name(1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(N1CCC2(CC1)CN(Cc1nccs1)CCO2)C1(F)CCC1
InChIInChI=1S/C17H24FN3O2S/c18-17(2-1-3-17)15(22)21-7-4-16(5-8-21)13-20(9-10-23-16)12-14-19-6-11-24-14/h6,11H,1-5,7-10,12-13H2
InChIKeyYVJBBGVLKDMFBN-UHFFFAOYSA-N
XLogP2.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131684999) is (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(N1CCC2(CC1)CN(Cc1nccs1)CCO2)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is YVJBBGVLKDMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c18-17(2-1-3-17)15(22)21-7-4-16(5-8-21)13-20(9-10-23-16)12-14-19-6-11-24-14/h6,11H,1-5,7-10,12-13H2.
What are the key properties of (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 353.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131684999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).