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

C20H22N4O4S — CID 164738669

IUPACN-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2ccco2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C20H22N4O4S/c1-26-17-15-16(13(11-21-17)14-3-2-8-28-14)29-18(22-15)23-19(25)24-7-4-20(12-24)5-9-27-10-6-20/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,22,23,25)
InChIKeyHRFUSDDUULPPKS-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.99
Rot. Bonds3

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

N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164738669) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738669
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2ccco2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C20H22N4O4S/c1-26-17-15-16(13(11-21-17)14-3-2-8-28-14)29-18(22-15)23-19(25)24-7-4-20(12-24)5-9-27-10-6-20/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,22,23,25)
InChIKeyHRFUSDDUULPPKS-UHFFFAOYSA-N
XLogP3.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-(2-amino-3-methylsulfonylphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 172789316
(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 158377073
tert-butyl N-[3-[4-methoxy-2-(8-oxa-2-azaspiro[4.5]decane-2-carbonylamino)-[1,3]thiazolo[4,5-c]pyridin-7-yl]phenyl]carbamate
CID 154659404
N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738740
N-[4-methoxy-7-[3-(1,3-oxazol-4-ylmethylamino)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738654
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 142524382
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738655
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 142524386
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
CID 142524403

Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738669) is N-[7-(furan-2-yl)-4-methoxy-[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-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(-c2ccco2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is HRFUSDDUULPPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-26-17-15-16(13(11-21-17)14-3-2-8-28-14)29-18(22-15)23-19(25)24-7-4-20(12-24)5-9-27-10-6-20/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,22,23,25).
What are the key properties of N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).