2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

C18H20F5N5O2S — CID 171697045

IUPAC2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19F2N5S.C2HF3O2/c17-16(18)2-6-22(10-14-21-5-8-24-14)11-15(16)1-7-23(12-15)13-9-19-3-4-20-13;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7,10-12H2;(H,6,7)
InChIKeyCJTFETYACCETSB-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.30
Rot. Bonds3

About 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 171697045) has the molecular formula C18H20F5N5O2S and a molecular weight of 465.45 g/mol. Its IUPAC name is 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID171697045
Molecular FormulaC18H20F5N5O2S
Molecular Weight465.45 g/mol
Exact Mass465.13
IUPAC Name2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19F2N5S.C2HF3O2/c17-16(18)2-6-22(10-14-21-5-8-24-14)11-15(16)1-7-23(12-15)13-9-19-3-4-20-13;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7,10-12H2;(H,6,7)
InChIKeyCJTFETYACCETSB-UHFFFAOYSA-N
XLogP3.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[[(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97374439
2-[[(5R)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97374440
2-[(6,6-Difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
CID 131649975
N-[[(3aR,4R,7aS)-2-(1,3-thiazol-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 155835788
11-Pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155837400
2-[[9-[(1-Methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155840730
2-(9-Methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155841517
2-[(6,6-Difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155844706
11-Pyrazin-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171694809

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 171697045) is 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is FC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is CJTFETYACCETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5S.C2HF3O2/c17-16(18)2-6-22(10-14-21-5-8-24-14)11-15(16)1-7-23(12-15)13-9-19-3-4-20-13;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7,10-12H2;(H,6,7).
What are the key properties of 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 465.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171697045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).