(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C20H15Cl2N3O2S — CID 46843809

IUPAC(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-13-3-1-12(2-4-13)16-11-28-20(23-16)24-19(27)17-9-10-18(26)25(17)15-7-5-14(22)6-8-15/h1-8,11,17H,9-10H2,(H,23,24,27)/t17-/m0/s1
InChIKeyBGFPXOHXLKGOKK-KRWDZBQOSA-N
MW432.33 g/mol
LogP5.25
Rot. Bonds4

About (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 46843809) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID46843809
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-13-3-1-12(2-4-13)16-11-28-20(23-16)24-19(27)17-9-10-18(26)25(17)15-7-5-14(22)6-8-15/h1-8,11,17H,9-10H2,(H,23,24,27)/t17-/m0/s1
InChIKeyBGFPXOHXLKGOKK-KRWDZBQOSA-N
XLogP5.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 75218835
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 17282538
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 46843809) is (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BGFPXOHXLKGOKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-13-3-1-12(2-4-13)16-11-28-20(23-16)24-19(27)17-9-10-18(26)25(17)15-7-5-14(22)6-8-15/h1-8,11,17H,9-10H2,(H,23,24,27)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 432.33 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46843809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).