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

C16H20N2O2S — CID 95777950

IUPAC[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C
InChIInChI=1S/C16H20N2O2S/c1-10-12(3)21-15(17-10)13-5-4-7-18(9-13)16(19)14-6-8-20-11(14)2/h6,8,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyHHDHEMGVGITKEH-ZDUSSCGKSA-N
MW304.42 g/mol
LogP3.68
Rot. Bonds2

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

[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 95777950) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID95777950
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C
InChIInChI=1S/C16H20N2O2S/c1-10-12(3)21-15(17-10)13-5-4-7-18(9-13)16(19)14-6-8-20-11(14)2/h6,8,13H,4-5,7,9H2,1-3H3/t13-/m0/s1
InChIKeyHHDHEMGVGITKEH-ZDUSSCGKSA-N
XLogP3.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9224009
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
(2-methylfuran-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734449
[(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
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461334

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 95777950) is [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C.
What is the InChIKey of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is HHDHEMGVGITKEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-12(3)21-15(17-10)13-5-4-7-18(9-13)16(19)14-6-8-20-11(14)2/h6,8,13H,4-5,7,9H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 3.68, 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]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 95777950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).