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

C16H19F2N5S — CID 131649975

IUPAC2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C16H19F2N5S/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/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyMLQIIUJRQYCYMN-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.67
Rot. Bonds3

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

2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (PubChem CID 131649975) has the molecular formula C16H19F2N5S and a molecular weight of 351.43 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.

Molecular Properties

Compound Name2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
PubChem CID131649975
Molecular FormulaC16H19F2N5S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2
InChIInChI=1S/C16H19F2N5S/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/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyMLQIIUJRQYCYMN-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (CID 131649975) is 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole.
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?
The canonical SMILES for 2-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole is FC1(F)CCN(Cc2nccs2)CC12CCN(c1cnccn1)C2.
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?
The InChIKey is MLQIIUJRQYCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5S/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/h3-5,8-9H,1-2,6-7,10-12H2.
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-[(6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole has a molecular weight of 351.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 131649975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).