N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C19H18N4O2S2 — CID 18288842

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C19H18N4O2S2/c24-16(11-15-13-27-19(20-15)23-8-4-7-17(23)25)21-18-22(9-10-26-18)12-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2/b21-18-
InChIKeyYTANDWLNKJYFNN-UZYVYHOESA-N
MW398.51 g/mol
LogP2.85
Rot. Bonds5

About N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18288842) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID18288842
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(N2CCCC2=O)n1)/N=c1\sccn1Cc1ccccc1
InChIInChI=1S/C19H18N4O2S2/c24-16(11-15-13-27-19(20-15)23-8-4-7-17(23)25)21-18-22(9-10-26-18)12-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2/b21-18-
InChIKeyYTANDWLNKJYFNN-UZYVYHOESA-N
XLogP2.85
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27757486
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
1-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 39967713
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 31437081
(2-anilino-2-oxoethyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667672
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9481635
1-[4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 9476792
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 38169001
N-(furan-2-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18100622
4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80655752
N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 18288842) is N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(N2CCCC2=O)n1)/N=c1\sccn1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YTANDWLNKJYFNN-UZYVYHOESA-N. The full InChI is InChI=1S/C19H18N4O2S2/c24-16(11-15-13-27-19(20-15)23-8-4-7-17(23)25)21-18-22(9-10-26-18)12-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2/b21-18-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18288842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).