N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide

C14H23N3OS — CID 154582450

IUPACN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(Cc2sc(C)nc2C)CC1
InChIInChI=1S/C14H23N3OS/c1-10-14(19-11(2)15-10)9-17-7-5-13(6-8-17)16(4)12(3)18/h13H,5-9H2,1-4H3
InChIKeyDMFIIRMNEPUMIY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.20
Rot. Bonds3

About N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide

N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 154582450) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID154582450
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(Cc2sc(C)nc2C)CC1
InChIInChI=1S/C14H23N3OS/c1-10-14(19-11(2)15-10)9-17-7-5-13(6-8-17)16(4)12(3)18/h13H,5-9H2,1-4H3
InChIKeyDMFIIRMNEPUMIY-UHFFFAOYSA-N
XLogP2.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide (CID 154582450) is N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(Cc2sc(C)nc2C)CC1.
What is the InChIKey of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is DMFIIRMNEPUMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-14(19-11(2)15-10)9-17-7-5-13(6-8-17)16(4)12(3)18/h13H,5-9H2,1-4H3.
What are the key properties of N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide?
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 154582450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).