N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

C17H27N3O2S — CID 71842085

IUPACN-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-5-14(21)18-9-13-11-23-15(19-13)12-7-6-8-20(10-12)16(22)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyMXDGYIBTMKNTLA-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.92
Rot. Bonds4

About N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842085) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842085
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-5-14(21)18-9-13-11-23-15(19-13)12-7-6-8-20(10-12)16(22)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyMXDGYIBTMKNTLA-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842085) is N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1.
What is the InChIKey of N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is MXDGYIBTMKNTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-5-14(21)18-9-13-11-23-15(19-13)12-7-6-8-20(10-12)16(22)17(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,21).
What are the key properties of N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 337.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).