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

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

N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 154659416) has the molecular formula C21H27FN4O4S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name	N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID	154659416
Molecular Formula	C21H27FN4O4S
Molecular Weight	450.54 g/mol
Exact Mass	450.17
IUPAC Name	N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILES	COc1nc(F)c(C2CCOCC2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChI	InChI=1S/C21H27FN4O4S/c1-28-18-15-16(14(17(22)24-18)13-2-8-29-9-3-13)31-19(23-15)25-20(27)26-7-4-21(12-26)5-10-30-11-6-21/h13H,2-12H2,1H3,(H,23,25,27)
InChIKey	YRCIOCGDOURZNE-UHFFFAOYSA-N
XLogP	3.77
TPSA	85.81 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[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-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 154659416) is N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[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-(oxan-4-yl)-[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-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1nc(F)c(C2CCOCC2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.

What is the InChIKey of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?

The InChIKey is YRCIOCGDOURZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S/c1-28-18-15-16(14(17(22)24-18)13-2-8-29-9-3-13)31-19(23-15)25-20(27)26-7-4-21(12-26)5-10-30-11-6-21/h13H,2-12H2,1H3,(H,23,25,27).

What are the key properties of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?

N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 154659416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).