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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Related Compounds

2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 51075868
(2,4-Dimethyl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 53520321
Tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate
CID 71982961
N-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72867942
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72873202
[(2S)-2-methylpiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 93617719
N,N-diethyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53515229
N-cyclohexyl-N-cyclopropyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 71888644
2-Methyl-1-[3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]propan-1-one
CID 71927520
2-(1-isopropyl-4-piperidinyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 72884411
(2,4-Dimethylthiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092481
[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615

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).