2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

C16H19F2N5S — CID 97374427

IUPAC2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)C[C@]12CCN(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/t15-/m0/s1
InChIKeyRGSWEVFQKFDSCM-HNNXBMFYSA-N
MW351.43 g/mol
LogP2.67
Rot. Bonds3

About 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole

2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (PubChem CID 97374427) has the molecular formula C16H19F2N5S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
PubChem CID97374427
Molecular FormulaC16H19F2N5S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
SMILESFC1(F)CCN(Cc2nccs2)C[C@]12CCN(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/t15-/m0/s1
InChIKeyRGSWEVFQKFDSCM-HNNXBMFYSA-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

Analyze 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole (CID 97374427) is 2-[[(5S)-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-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is FC1(F)CCN(Cc2nccs2)C[C@]12CCN(c1ncccn1)C2.
What is the InChIKey of 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
The InChIKey is RGSWEVFQKFDSCM-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of 2-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole?
2-[[(5S)-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-[[(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97374427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).