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

C15H18N2O2S — CID 95777886

IUPAC[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccoc3)C2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-4-3-6-17(8-12)15(18)13-5-7-19-9-13/h5,7,9,12H,3-4,6,8H2,1-2H3/t12-/m0/s1
InChIKeyVMZSLVTYKLIENW-LBPRGKRZSA-N
MW290.39 g/mol
LogP3.37
Rot. Bonds2

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

[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 95777886) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID95777886
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccoc3)C2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-4-3-6-17(8-12)15(18)13-5-7-19-9-13/h5,7,9,12H,3-4,6,8H2,1-2H3/t12-/m0/s1
InChIKeyVMZSLVTYKLIENW-LBPRGKRZSA-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
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
[(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
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
[1-(cyclopropylamino)cyclobutyl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 154784795
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95777816
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919
[4-(aminomethyl)oxan-4-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940816

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 95777886) is [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3ccoc3)C2)sc1C.
What is the InChIKey of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is VMZSLVTYKLIENW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-11(2)20-14(16-10)12-4-3-6-17(8-12)15(18)13-5-7-19-9-13/h5,7,9,12H,3-4,6,8H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-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 [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 95777886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).