[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

C15H18N2O2S — CID 95777767

IUPAC[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-5-3-7-17(9-12)15(18)13-6-4-8-19-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyIZIQLNPJXWIMSO-GFCCVEGCSA-N
MW290.39 g/mol
LogP3.37
Rot. Bonds2

About [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95777767) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID95777767
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-5-3-7-17(9-12)15(18)13-6-4-8-19-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyIZIQLNPJXWIMSO-GFCCVEGCSA-N
XLogP3.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95777950
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95777969
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 56728046
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841781

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 95777767) is [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is Cc1nc([C@@H]2CCCN(C(=O)c3ccco3)C2)sc1C.
What is the InChIKey of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IZIQLNPJXWIMSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-5-3-7-17(9-12)15(18)13-6-4-8-19-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95777767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).