5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole

C13H19F2N3S — CID 169104518

IUPAC5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole
SMILESCN1CC2(CCN(Cc3ncc(C(F)F)s3)CC2)C1
InChIInChI=1S/C13H19F2N3S/c1-17-8-13(9-17)2-4-18(5-3-13)7-11-16-6-10(19-11)12(14)15/h6,12H,2-5,7-9H2,1H3
InChIKeyWUUYZYGTXSVBIX-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.61
Rot. Bonds3

About 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole

5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole (PubChem CID 169104518) has the molecular formula C13H19F2N3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole
PubChem CID169104518
Molecular FormulaC13H19F2N3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole
SMILESCN1CC2(CCN(Cc3ncc(C(F)F)s3)CC2)C1
InChIInChI=1S/C13H19F2N3S/c1-17-8-13(9-17)2-4-18(5-3-13)7-11-16-6-10(19-11)12(14)15/h6,12H,2-5,7-9H2,1H3
InChIKeyWUUYZYGTXSVBIX-UHFFFAOYSA-N
XLogP2.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole (CID 169104518) is 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole is CN1CC2(CCN(Cc3ncc(C(F)F)s3)CC2)C1.
What is the InChIKey of 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole?
The InChIKey is WUUYZYGTXSVBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3S/c1-17-8-13(9-17)2-4-18(5-3-13)7-11-16-6-10(19-11)12(14)15/h6,12H,2-5,7-9H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole?
5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole has a molecular weight of 287.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 169104518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).