N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N4O3S — CID 90508466

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCc3csc4nc(C)cc(=O)n34)CC2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-13-3-5-16(6-4-13)24-11-15(10-18(24)26)20(28)22-8-7-17-12-29-21-23-14(2)9-19(27)25(17)21/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,22,28)
InChIKeyCJHSWAUIXFBYJF-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90508466) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90508466
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCc3csc4nc(C)cc(=O)n34)CC2=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-13-3-5-16(6-4-13)24-11-15(10-18(24)26)20(28)22-8-7-17-12-29-21-23-14(2)9-19(27)25(17)21/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,22,28)
InChIKeyCJHSWAUIXFBYJF-UHFFFAOYSA-N
XLogP2.08
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 90572176
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39968150
1-(4-methylsulfanylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43050125
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(4-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122352811
1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 90570929
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
1-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058989

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 90508466) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCc3csc4nc(C)cc(=O)n34)CC2=O)cc1.
What is the InChIKey of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJHSWAUIXFBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-3-5-16(6-4-13)24-11-15(10-18(24)26)20(28)22-8-7-17-12-29-21-23-14(2)9-19(27)25(17)21/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,22,28).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90508466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).