[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

C18H23N3O2S — CID 134070855

IUPAC[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CCCC23CCCN(C(=O)c2cscn2)C3)o1
InChIInChI=1S/C18H23N3O2S/c1-14-4-5-15(23-14)10-21-9-3-7-18(21)6-2-8-20(12-18)17(22)16-11-24-13-19-16/h4-5,11,13H,2-3,6-10,12H2,1H3
InChIKeyAKAMHXDGHKBRAJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.32
Rot. Bonds3

About [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone

[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 134070855) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID134070855
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CCCC23CCCN(C(=O)c2cscn2)C3)o1
InChIInChI=1S/C18H23N3O2S/c1-14-4-5-15(23-14)10-21-9-3-7-18(21)6-2-8-20(12-18)17(22)16-11-24-13-19-16/h4-5,11,13H,2-3,6-10,12H2,1H3
InChIKeyAKAMHXDGHKBRAJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
CID 97370681
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97393075
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95848612
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 134698395
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 97473106
7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118741147
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
CID 134073855
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone (CID 134070855) is [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccc(CN2CCCC23CCCN(C(=O)c2cscn2)C3)o1.
What is the InChIKey of [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is AKAMHXDGHKBRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-4-5-15(23-14)10-21-9-3-7-18(21)6-2-8-20(12-18)17(22)16-11-24-13-19-16/h4-5,11,13H,2-3,6-10,12H2,1H3.
What are the key properties of [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone?
[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 134070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).