2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one

C20H25N7O3S — CID 118233086

IUPAC2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N(C)Cc4cnc(-n5cnnn5)s4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H25N7O3S/c1-13-16(11-30-17(13)28)26-8-7-20(18(26)29)5-3-14(4-6-20)25(2)10-15-9-21-19(31-15)27-12-22-23-24-27/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyFCUPQIPZCJGCDN-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one

2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one (PubChem CID 118233086) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
PubChem CID118233086
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N(C)Cc4cnc(-n5cnnn5)s4)CC3)C2=O)COC1=O
InChIInChI=1S/C20H25N7O3S/c1-13-16(11-30-17(13)28)26-8-7-20(18(26)29)5-3-14(4-6-20)25(2)10-15-9-21-19(31-15)27-12-22-23-24-27/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyFCUPQIPZCJGCDN-UHFFFAOYSA-N
XLogP1.54
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461764
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen;[6-(tetrazol-1-yl)pyridazin-3-yl]methanamine
CID 144885549
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-azaspiro[4.5]decan-1-one
CID 147293928
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233012
(1R,5R)-8-[(2R)-2-hydroxy-2-[2-(tetrazol-1-yl)pyrimidin-5-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
CID 118677064
8-[4,5-dihydrotetrazolo[1,5-a]quinolin-7-ylmethyl(methyl)amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233048
8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118233033
8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90461601
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[1-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethylamino]-2-azaspiro[4.5]decan-1-one
CID 123604618
9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
CID 135184243
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118225217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one (CID 118233086) is 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCC(N(C)Cc4cnc(-n5cnnn5)s4)CC3)C2=O)COC1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one?
The InChIKey is FCUPQIPZCJGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-13-16(11-30-17(13)28)26-8-7-20(18(26)29)5-3-14(4-6-20)25(2)10-15-9-21-19(31-15)27-12-22-23-24-27/h9,12,14H,3-8,10-11H2,1-2H3.
What are the key properties of 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one?
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one has a molecular weight of 443.53 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118233086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).