2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

C19H24FN3S — CID 97370013

IUPAC2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)cc1
InChIInChI=1S/C19H24FN3S/c20-17-3-1-16(2-4-17)13-23-11-7-19(15-23)5-9-22(10-6-19)14-18-21-8-12-24-18/h1-4,8,12H,5-7,9-11,13-15H2
InChIKeyYVANOKDUQXRGFA-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.77
Rot. Bonds4

About 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97370013) has the molecular formula C19H24FN3S and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97370013
Molecular FormulaC19H24FN3S
Molecular Weight345.49 g/mol
Exact Mass345.17
IUPAC Name2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)cc1
InChIInChI=1S/C19H24FN3S/c20-17-3-1-16(2-4-17)13-23-11-7-19(15-23)5-9-22(10-6-19)14-18-21-8-12-24-18/h1-4,8,12H,5-7,9-11,13-15H2
InChIKeyYVANOKDUQXRGFA-UHFFFAOYSA-N
XLogP3.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97370013) is 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is Fc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is YVANOKDUQXRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3S/c20-17-3-1-16(2-4-17)13-23-11-7-19(15-23)5-9-22(10-6-19)14-18-21-8-12-24-18/h1-4,8,12H,5-7,9-11,13-15H2.
What are the key properties of 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 345.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).