(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone

C18H22N4O2S — CID 135117245

IUPAC(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(CSc2ncccn2)o1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C18H22N4O2S/c23-17(22-11-14(12-22)21-9-2-1-3-10-21)16-6-5-15(24-16)13-25-18-19-7-4-8-20-18/h4-8,14H,1-3,9-13H2
InChIKeyQKWVQFOMVFKZIT-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.67
Rot. Bonds5

About (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone

(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone (PubChem CID 135117245) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
PubChem CID135117245
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(CSc2ncccn2)o1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C18H22N4O2S/c23-17(22-11-14(12-22)21-9-2-1-3-10-21)16-6-5-15(24-16)13-25-18-19-7-4-8-20-18/h4-8,14H,1-3,9-13H2
InChIKeyQKWVQFOMVFKZIT-UHFFFAOYSA-N
XLogP2.67
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 156607713
[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72869384
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 97208911
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 95590181
(3-pyridin-3-ylazetidin-1-yl)-[5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-yl]methanone
CID 56913188
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50965704
[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55615893
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50983086
[5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42825099
(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone?
The IUPAC name of (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone (CID 135117245) is (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone.
What is the SMILES notation for (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone?
The canonical SMILES for (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone is O=C(c1ccc(CSc2ncccn2)o1)N1CC(N2CCCCC2)C1.
What is the InChIKey of (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone?
The InChIKey is QKWVQFOMVFKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(22-11-14(12-22)21-9-2-1-3-10-21)16-6-5-15(24-16)13-25-18-19-7-4-8-20-18/h4-8,14H,1-3,9-13H2.
What are the key properties of (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone?
(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 135117245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).