N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C15H24Cl2N4O2S — CID 120573891

IUPACN-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C15H22N4O2S.2ClH/c1-10-12(4-2-6-16-10)18-13(20)8-11-9-22-15(17-11)19-7-3-5-14(19)21;;/h9-10,12,16H,2-8H2,1H3,(H,18,20);2*1H
InChIKeyBLYDIOKOGXGQKJ-UHFFFAOYSA-N
MW395.36 g/mol
LogP1.91
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 120573891) has the molecular formula C15H24Cl2N4O2S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID120573891
Molecular FormulaC15H24Cl2N4O2S
Molecular Weight395.36 g/mol
Exact Mass394.10
IUPAC NameN-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C15H22N4O2S.2ClH/c1-10-12(4-2-6-16-10)18-13(20)8-11-9-22-15(17-11)19-7-3-5-14(19)21;;/h9-10,12,16H,2-8H2,1H3,(H,18,20);2*1H
InChIKeyBLYDIOKOGXGQKJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119556941
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
CID 120574533
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119439649
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230
[2-(cyclohexylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667730
N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 134020281

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 120573891) is N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC1NCCCC1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is BLYDIOKOGXGQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S.2ClH/c1-10-12(4-2-6-16-10)18-13(20)8-11-9-22-15(17-11)19-7-3-5-14(19)21;;/h9-10,12,16H,2-8H2,1H3,(H,18,20);2*1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 395.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).