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

C16H26Cl2N4O2S — CID 119556941

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(N2CCCC2=O)n1)NCCC1CCCNC1
InChIInChI=1S/C16H24N4O2S.2ClH/c21-14(18-7-5-12-3-1-6-17-10-12)9-13-11-23-16(19-13)20-8-2-4-15(20)22;;/h11-12,17H,1-10H2,(H,18,21);2*1H
InChIKeyBKLHSLFEHFXRCQ-UHFFFAOYSA-N
MW409.38 g/mol
LogP2.16
Rot. Bonds6

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

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (PubChem CID 119556941) has the molecular formula C16H26Cl2N4O2S and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
PubChem CID119556941
Molecular FormulaC16H26Cl2N4O2S
Molecular Weight409.38 g/mol
Exact Mass408.12
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(N2CCCC2=O)n1)NCCC1CCCNC1
InChIInChI=1S/C16H24N4O2S.2ClH/c21-14(18-7-5-12-3-1-6-17-10-12)9-13-11-23-16(19-13)20-8-2-4-15(20)22;;/h11-12,17H,1-10H2,(H,18,21);2*1H
InChIKeyBKLHSLFEHFXRCQ-UHFFFAOYSA-N
XLogP2.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119559461
2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347
N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120573891
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34067165
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509
N-[3-(4-methoxyphenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55921192
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39968099
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (CID 119556941) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(Cc1csc(N2CCCC2=O)n1)NCCC1CCCNC1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The InChIKey is BKLHSLFEHFXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.2ClH/c21-14(18-7-5-12-3-1-6-17-10-12)9-13-11-23-16(19-13)20-8-2-4-15(20)22;;/h11-12,17H,1-10H2,(H,18,21);2*1H.
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride has a molecular weight of 409.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119556941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).