4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

C16H15F2N7S — CID 118178371

IUPAC4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(N4CCC5(C4)CC5(F)F)sc23)ncn1
InChIInChI=1S/C16H15F2N7S/c17-16(18)6-15(16)2-4-25(7-15)14-23-9-1-3-20-13(12(9)26-14)24-11-5-10(19)21-8-22-11/h1,3,5,8H,2,4,6-7H2,(H3,19,20,21,22,24)
InChIKeyXLECFFLRYWSNQU-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.04
Rot. Bonds3

About 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 118178371) has the molecular formula C16H15F2N7S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID118178371
Molecular FormulaC16H15F2N7S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2nccc3nc(N4CCC5(C4)CC5(F)F)sc23)ncn1
InChIInChI=1S/C16H15F2N7S/c17-16(18)6-15(16)2-4-25(7-15)14-23-9-1-3-20-13(12(9)26-14)24-11-5-10(19)21-8-22-11/h1,3,5,8H,2,4,6-7H2,(H3,19,20,21,22,24)
InChIKeyXLECFFLRYWSNQU-UHFFFAOYSA-N
XLogP3.04
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 118178371) is 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is Nc1cc(Nc2nccc3nc(N4CCC5(C4)CC5(F)F)sc23)ncn1.
What is the InChIKey of 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is XLECFFLRYWSNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7S/c17-16(18)6-15(16)2-4-25(7-15)14-23-9-1-3-20-13(12(9)26-14)24-11-5-10(19)21-8-22-11/h1,3,5,8H,2,4,6-7H2,(H3,19,20,21,22,24).
What are the key properties of 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 375.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 118178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).