2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide

C15H23N3O2S — CID 125008264

IUPAC2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)(C)C)s1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)14(20)18-8-6-5-7-10(18)13-17-9-11(21-13)12(19)16-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyUTRMYXFMNCVJDM-SNVBAGLBSA-N
MW309.44 g/mol
LogP2.60
Rot. Bonds2

About 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 125008264) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID125008264
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)(C)C)s1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)14(20)18-8-6-5-7-10(18)13-17-9-11(21-13)12(19)16-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyUTRMYXFMNCVJDM-SNVBAGLBSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 125008264) is 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc([C@H]2CCCCN2C(=O)C(C)(C)C)s1.
What is the InChIKey of 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UTRMYXFMNCVJDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)14(20)18-8-6-5-7-10(18)13-17-9-11(21-13)12(19)16-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125008264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).