2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

C19H24FN3S — CID 97482874

IUPAC2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESFc1cccc(CN2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)c1
InChIInChI=1S/C19H24FN3S/c20-17-4-1-3-16(11-17)12-23-9-6-19(15-23)5-2-8-22(14-19)13-18-21-7-10-24-18/h1,3-4,7,10-11H,2,5-6,8-9,12-15H2/t19-/m1/s1
InChIKeyWILAZDUQWKHPQA-LJQANCHMSA-N
MW345.49 g/mol
LogP3.77
Rot. Bonds4

About 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (PubChem CID 97482874) has the molecular formula C19H24FN3S and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
PubChem CID97482874
Molecular FormulaC19H24FN3S
Molecular Weight345.49 g/mol
Exact Mass345.17
IUPAC Name2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESFc1cccc(CN2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)c1
InChIInChI=1S/C19H24FN3S/c20-17-4-1-3-16(11-17)12-23-9-6-19(15-23)5-2-8-22(14-19)13-18-21-7-10-24-18/h1,3-4,7,10-11H,2,5-6,8-9,12-15H2/t19-/m1/s1
InChIKeyWILAZDUQWKHPQA-LJQANCHMSA-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-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (CID 97482874) is 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is Fc1cccc(CN2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)c1.
What is the InChIKey of 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The InChIKey is WILAZDUQWKHPQA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24FN3S/c20-17-4-1-3-16(11-17)12-23-9-6-19(15-23)5-2-8-22(14-19)13-18-21-7-10-24-18/h1,3-4,7,10-11H,2,5-6,8-9,12-15H2/t19-/m1/s1.
What are the key properties of 2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
2-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-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-[[(5S)-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97482874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).