2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C22H27FN4OS — CID 45245579

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C22H27FN4OS/c23-18-4-2-17(3-5-18)13-25-9-1-6-22(15-25)7-10-26(16-22)20(28)12-19-14-29-21-24-8-11-27(19)21/h2-5,14H,1,6-13,15-16H2
InChIKeyPITXUUHWSSCJPL-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.29
Rot. Bonds4

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 45245579) has the molecular formula C22H27FN4OS and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID45245579
Molecular FormulaC22H27FN4OS
Molecular Weight414.55 g/mol
Exact Mass414.19
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C22H27FN4OS/c23-18-4-2-17(3-5-18)13-25-9-1-6-22(15-25)7-10-26(16-22)20(28)12-19-14-29-21-24-8-11-27(19)21/h2-5,14H,1,6-13,15-16H2
InChIKeyPITXUUHWSSCJPL-UHFFFAOYSA-N
XLogP3.29
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 45245579) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is O=C(CC1=CSC2=NCCN12)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is PITXUUHWSSCJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4OS/c23-18-4-2-17(3-5-18)13-25-9-1-6-22(15-25)7-10-26(16-22)20(28)12-19-14-29-21-24-8-11-27(19)21/h2-5,14H,1,6-13,15-16H2.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 414.55 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 45245579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).