A1A4B

[(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone

Created:2024-08-29
Last modified:  2024-11-06

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count5
2D diagram of A1A4B

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Chemical Component Summary

Name[(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone
Systematic Name (OpenEye OEToolkits)[(2~{S})-2-methylpiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
FormulaC11 H16 N2 O S
Molecular Weight224.323
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N1CCCCC1C)c1scnc1C
SMILESCACTVS3.385C[CH]1CCCCN1C(=O)c2scnc2C
SMILESOpenEye OEToolkits3.1.0.0Cc1c(scn1)C(=O)N2CCCCC2C
Canonical SMILESCACTVS3.385 C[C@H]1CCCCN1C(=O)c2scnc2C
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1c(scn1)C(=O)N2CCCC[C@@H]2C
InChIInChI1.06 InChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-9(2)12-7-15-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyInChI1.06 YWRNHBFWWBSTNH-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 93617719