(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H17ClN4O2S — CID 29441712

IUPAC(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C22H17ClN4O2S/c23-17-3-1-2-4-19(17)27-12-15(11-20(27)28)21(29)24-16-7-5-14(6-8-16)18-13-26-9-10-30-22(26)25-18/h1-10,13,15H,11-12H2,(H,24,29)/t15-/m1/s1
InChIKeyXXBXDLLVJPYBJY-OAHLLOKOSA-N
MW436.92 g/mol
LogP4.71
Rot. Bonds4

About (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29441712) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29441712
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC Name(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C22H17ClN4O2S/c23-17-3-1-2-4-19(17)27-12-15(11-20(27)28)21(29)24-16-7-5-14(6-8-16)18-13-26-9-10-30-22(26)25-18/h1-10,13,15H,11-12H2,(H,24,29)/t15-/m1/s1
InChIKeyXXBXDLLVJPYBJY-OAHLLOKOSA-N
XLogP4.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119252112
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 29441712) is (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XXBXDLLVJPYBJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H17ClN4O2S/c23-17-3-1-2-4-19(17)27-12-15(11-20(27)28)21(29)24-16-7-5-14(6-8-16)18-13-26-9-10-30-22(26)25-18/h1-10,13,15H,11-12H2,(H,24,29)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29441712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).