2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole

C20H26FN3S — CID 97370612

IUPAC2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1
InChIInChI=1S/C20H26FN3S/c21-18-3-1-17(2-4-18)15-23-10-5-20(6-11-23)7-12-24(13-8-20)16-19-22-9-14-25-19/h1-4,9,14H,5-8,10-13,15-16H2
InChIKeyUTENQPMMDXTSPQ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.16
Rot. Bonds4

About 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole

2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole (PubChem CID 97370612) has the molecular formula C20H26FN3S and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
PubChem CID97370612
Molecular FormulaC20H26FN3S
Molecular Weight359.51 g/mol
Exact Mass359.18
IUPAC Name2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1
InChIInChI=1S/C20H26FN3S/c21-18-3-1-17(2-4-18)15-23-10-5-20(6-11-23)7-12-24(13-8-20)16-19-22-9-14-25-19/h1-4,9,14H,5-8,10-13,15-16H2
InChIKeyUTENQPMMDXTSPQ-UHFFFAOYSA-N
XLogP4.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole (CID 97370612) is 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole is Fc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1.
What is the InChIKey of 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The InChIKey is UTENQPMMDXTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3S/c21-18-3-1-17(2-4-18)15-23-10-5-20(6-11-23)7-12-24(13-8-20)16-19-22-9-14-25-19/h1-4,9,14H,5-8,10-13,15-16H2.
What are the key properties of 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole has a molecular weight of 359.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-[(4-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).