4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole

C13H19F2N3S — CID 121229543

IUPAC4-[(6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCC1=NC(=CS1)CN2CCC3(C2)CNCCC3(F)F
InChIInChI=1S/C13H19F2N3S/c1-10-17-11(7-19-10)6-18-5-3-12(9-18)8-16-4-2-13(12,14)15/h7,16H,2-6,8-9H2,1H3
InChIKeyIREFKGCVTLVIRA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.80
Rot. Bonds2

About 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole

4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole (PubChem CID 121229543) has the molecular formula C13H19F2N3S and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole
PubChem CID121229543
Molecular FormulaC13H19F2N3S
Molecular Weight287.37 g/mol
Exact Mass287.13
IUPAC Name4-[(6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCC1=NC(=CS1)CN2CCC3(C2)CNCCC3(F)F
InChIInChI=1S/C13H19F2N3S/c1-10-17-11(7-19-10)6-18-5-3-12(9-18)8-16-4-2-13(12,14)15/h7,16H,2-6,8-9H2,1H3
InChIKeyIREFKGCVTLVIRA-UHFFFAOYSA-N
XLogP1.80
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole 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 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole?
The IUPAC name of 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole (CID 121229543) is 4-[(6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole?
The canonical SMILES for 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole is CC1=NC(=CS1)CN2CCC3(C2)CNCCC3(F)F.
What is the InChIKey of 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole?
The InChIKey is IREFKGCVTLVIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3S/c1-10-17-11(7-19-10)6-18-5-3-12(9-18)8-16-4-2-13(12,14)15/h7,16H,2-6,8-9H2,1H3.
What are the key properties of 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole?
4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole has a molecular weight of 287.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-((10,10-Difluoro-2,7-diazaspiro[4.5]decan-2-yl)methyl)-2-methylthiazole is sourced from PubChem (CID 121229543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).