N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

C16H28Cl2N4O2S — CID 120817223

IUPACN-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(N)C(C)(C)C2)cs1.Cl.Cl
InChIInChI=1S/C16H26N4O2S.2ClH/c1-10(2)14(22)19-15-18-11(8-23-15)7-13(21)20-6-5-12(17)16(3,4)9-20;;/h8,10,12H,5-7,9,17H2,1-4H3,(H,18,19,22);2*1H
InChIKeyVSNJVACDKMTOBR-UHFFFAOYSA-N
MW411.40 g/mol
LogP2.71
Rot. Bonds4

About N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride

N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 120817223) has the molecular formula C16H28Cl2N4O2S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
PubChem CID120817223
Molecular FormulaC16H28Cl2N4O2S
Molecular Weight411.40 g/mol
Exact Mass410.13
IUPAC NameN-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(N)C(C)(C)C2)cs1.Cl.Cl
InChIInChI=1S/C16H26N4O2S.2ClH/c1-10(2)14(22)19-15-18-11(8-23-15)7-13(21)20-6-5-12(17)16(3,4)9-20;;/h8,10,12H,5-7,9,17H2,1-4H3,(H,18,19,22);2*1H
InChIKeyVSNJVACDKMTOBR-UHFFFAOYSA-N
XLogP2.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
2-methyl-N-[4-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119543944
2-methyl-N-[4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119539615
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120816321
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120817102
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120815553
N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55790845
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
N-[4-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120743933

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride (CID 120817223) is N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is CC(C)C(=O)Nc1nc(CC(=O)N2CCC(N)C(C)(C)C2)cs1.Cl.Cl.
What is the InChIKey of N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
The InChIKey is VSNJVACDKMTOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S.2ClH/c1-10(2)14(22)19-15-18-11(8-23-15)7-13(21)20-6-5-12(17)16(3,4)9-20;;/h8,10,12H,5-7,9,17H2,1-4H3,(H,18,19,22);2*1H.
What are the key properties of N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride?
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 411.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 120817223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).