2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone

C20H21FN6O2S — CID 135390355

IUPAC2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
SMILESCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)N3CC4(CNC4)C3)nc12
InChIInChI=1S/C20H21FN6O2S/c1-11(2)29-14-5-12(21)3-4-13(14)25-16-15-17(24-10-23-16)30-18(26-15)19(28)27-8-20(9-27)6-22-7-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,25)
InChIKeyXIMNQUDAUBNFIV-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.80
Rot. Bonds5

About 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone

2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone (PubChem CID 135390355) has the molecular formula C20H21FN6O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
PubChem CID135390355
Molecular FormulaC20H21FN6O2S
Molecular Weight428.49 g/mol
Exact Mass428.14
IUPAC Name2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
SMILESCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)N3CC4(CNC4)C3)nc12
InChIInChI=1S/C20H21FN6O2S/c1-11(2)29-14-5-12(21)3-4-13(14)25-16-15-17(24-10-23-16)30-18(26-15)19(28)27-8-20(9-27)6-22-7-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,25)
InChIKeyXIMNQUDAUBNFIV-UHFFFAOYSA-N
XLogP2.80
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone (CID 135390355) is 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone.
What is the SMILES notation for 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The canonical SMILES for 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)N3CC4(CNC4)C3)nc12.
What is the InChIKey of 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The InChIKey is XIMNQUDAUBNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2S/c1-11(2)29-14-5-12(21)3-4-13(14)25-16-15-17(24-10-23-16)30-18(26-15)19(28)27-8-20(9-27)6-22-7-20/h3-5,10-11,22H,6-9H2,1-2H3,(H,23,24,25).
What are the key properties of 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone has a molecular weight of 428.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.3]heptan-2-yl-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone is sourced from PubChem (CID 135390355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).