N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C22H23FN4O3S — CID 142524374

IUPACN-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1nc(F)c(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H23FN4O3S/c1-29-19-16-17(15(18(23)25-19)14-5-3-2-4-6-14)31-20(24-16)26-21(28)27-10-7-22(13-27)8-11-30-12-9-22/h2-6H,7-13H2,1H3,(H,24,26,28)
InChIKeyZOLOTOLBUBKBGY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.54
Rot. Bonds3

About N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 142524374) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID142524374
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1nc(F)c(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H23FN4O3S/c1-29-19-16-17(15(18(23)25-19)14-5-3-2-4-6-14)31-20(24-16)26-21(28)27-10-7-22(13-27)8-11-30-12-9-22/h2-6H,7-13H2,1H3,(H,24,26,28)
InChIKeyZOLOTOLBUBKBGY-UHFFFAOYSA-N
XLogP4.54
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 142524374) is N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1nc(F)c(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZOLOTOLBUBKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-29-19-16-17(15(18(23)25-19)14-5-3-2-4-6-14)31-20(24-16)26-21(28)27-10-7-22(13-27)8-11-30-12-9-22/h2-6H,7-13H2,1H3,(H,24,26,28).
What are the key properties of N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 142524374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).