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

C16H19F2N5S — CID 131646002

IUPAC2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1ncccn1)C2
InChIInChI=1S/C16H19F2N5S/c17-16(18)3-7-22(10-13-19-6-9-24-13)11-15(16)2-8-23(12-15)14-20-4-1-5-21-14/h1,4-6,9H,2-3,7-8,10-12H2
InChIKeyRGSWEVFQKFDSCM-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.67
Rot. Bonds3

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

2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (PubChem CID 131646002) has the molecular formula C16H19F2N5S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
PubChem CID131646002
Molecular FormulaC16H19F2N5S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)CC12CCN(c1ncccn1)C2
InChIInChI=1S/C16H19F2N5S/c17-16(18)3-7-22(10-13-19-6-9-24-13)11-15(16)2-8-23(12-15)14-20-4-1-5-21-14/h1,4-6,9H,2-3,7-8,10-12H2
InChIKeyRGSWEVFQKFDSCM-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-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole (CID 131646002) is 2-[(6,6-difluoro-2-pyrimidin-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-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole is FC1(F)CCN(Cc2nccs2)CC12CCN(c1ncccn1)C2.
What is the InChIKey of 2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
The InChIKey is RGSWEVFQKFDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5S/c17-16(18)3-7-22(10-13-19-6-9-24-13)11-15(16)2-8-23(12-15)14-20-4-1-5-21-14/h1,4-6,9H,2-3,7-8,10-12H2.
What are the key properties of 2-[(6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole?
2-[(6,6-difluoro-2-pyrimidin-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-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 131646002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).