[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate

C24H21ClN2O4S — CID 11837827

IUPAC[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(-c2csc(N3CC(C(=O)OC(C)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1
InChIInChI=1S/C24H21ClN2O4S/c1-14-3-5-16(6-4-14)20-13-32-24(26-20)27-12-18(11-21(27)28)23(30)31-15(2)22(29)17-7-9-19(25)10-8-17/h3-10,13,15,18H,11-12H2,1-2H3
InChIKeyKAOXSXDGHMSCKX-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.94
Rot. Bonds6

About [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate

[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 11837827) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
PubChem CID11837827
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(-c2csc(N3CC(C(=O)OC(C)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1
InChIInChI=1S/C24H21ClN2O4S/c1-14-3-5-16(6-4-14)20-13-32-24(26-20)27-12-18(11-21(27)28)23(30)31-15(2)22(29)17-7-9-19(25)10-8-17/h3-10,13,15,18H,11-12H2,1-2H3
InChIKeyKAOXSXDGHMSCKX-UHFFFAOYSA-N
XLogP4.94
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] (3S)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 40793645
[(2R)-4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] (3R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 41137513
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004049
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004241
[2-(4-methoxyphenyl)-2-oxoethyl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 4252875
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 1218770
[2-(4-nitrophenyl)-2-oxoethyl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 3843907
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004026
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498094
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498095
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 11837780

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate (CID 11837827) is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate is Cc1ccc(-c2csc(N3CC(C(=O)OC(C)C(=O)c4ccc(Cl)cc4)CC3=O)n2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is KAOXSXDGHMSCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-14-3-5-16(6-4-14)20-13-32-24(26-20)27-12-18(11-21(27)28)23(30)31-15(2)22(29)17-7-9-19(25)10-8-17/h3-10,13,15,18H,11-12H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate?
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 468.96 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 11837827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).