2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide

C20H25N5O2S — CID 55745485

IUPAC2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H25N5O2S/c26-18(11-16-14-28-20(23-16)25-10-4-5-19(25)27)22-13-15-6-7-17(21-12-15)24-8-2-1-3-9-24/h6-7,12,14H,1-5,8-11,13H2,(H,22,26)
InChIKeyLBFFZJLRJWEXNX-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.51
Rot. Bonds6

About 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 55745485) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID55745485
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C20H25N5O2S/c26-18(11-16-14-28-20(23-16)25-10-4-5-19(25)27)22-13-15-6-7-17(21-12-15)24-8-2-1-3-9-24/h6-7,12,14H,1-5,8-11,13H2,(H,22,26)
InChIKeyLBFFZJLRJWEXNX-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
N-[(3-fluoro-4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39728106
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36521056
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34067165
1-[(4-fluorophenyl)methyl]-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8943014
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9481635
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (CID 55745485) is 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide is O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is LBFFZJLRJWEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c26-18(11-16-14-28-20(23-16)25-10-4-5-19(25)27)22-13-15-6-7-17(21-12-15)24-8-2-1-3-9-24/h6-7,12,14H,1-5,8-11,13H2,(H,22,26).
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55745485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).