1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride

C15H24Cl2N4O2S — CID 119467711

IUPAC1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C15H22N4O2S.2ClH/c16-9-12-4-1-2-6-18(12)14(21)8-11-10-22-15(17-11)19-7-3-5-13(19)20;;/h10,12H,1-9,16H2;2*1H
InChIKeyOYURGPDZRIUSRC-UHFFFAOYSA-N
MW395.36 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride

1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride (PubChem CID 119467711) has the molecular formula C15H24Cl2N4O2S and a molecular weight of 395.36 g/mol. Its IUPAC name is 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride
PubChem CID119467711
Molecular FormulaC15H24Cl2N4O2S
Molecular Weight395.36 g/mol
Exact Mass394.10
IUPAC Name1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C15H22N4O2S.2ClH/c16-9-12-4-1-2-6-18(12)14(21)8-11-10-22-15(17-11)19-7-3-5-13(19)20;;/h10,12H,1-9,16H2;2*1H
InChIKeyOYURGPDZRIUSRC-UHFFFAOYSA-N
XLogP2.00
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 97075391
1-[4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 134029959
1-[4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 95590157
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
2-(2-amino-1,3-thiazol-4-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634520
1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 51318545
1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 134021655
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119468701
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 119469802
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011
[2-(cyclohexylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667730
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride (CID 119467711) is 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.NCC1CCCCN1C(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is OYURGPDZRIUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S.2ClH/c16-9-12-4-1-2-6-18(12)14(21)8-11-10-22-15(17-11)19-7-3-5-13(19)20;;/h10,12H,1-9,16H2;2*1H.
What are the key properties of 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride?
1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 395.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 119467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).