3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C21H18ClN5O3S — CID 91640727

IUPAC3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H18ClN5O3S/c22-14-6-2-1-5-13(14)11-27-19(29)16(25-21(27)30)8-9-18(28)26-20-24-17(12-31-20)15-7-3-4-10-23-15/h1-7,10,12,16H,8-9,11H2,(H,25,30)(H,24,26,28)/t16-/m0/s1
InChIKeyGKWINKKODLCBFA-INIZCTEOSA-N
MW455.93 g/mol
LogP3.70
Rot. Bonds7

About 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 91640727) has the molecular formula C21H18ClN5O3S and a molecular weight of 455.93 g/mol. Its IUPAC name is 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID91640727
Molecular FormulaC21H18ClN5O3S
Molecular Weight455.93 g/mol
Exact Mass455.08
IUPAC Name3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H18ClN5O3S/c22-14-6-2-1-5-13(14)11-27-19(29)16(25-21(27)30)8-9-18(28)26-20-24-17(12-31-20)15-7-3-4-10-23-15/h1-7,10,12,16H,8-9,11H2,(H,25,30)(H,24,26,28)/t16-/m0/s1
InChIKeyGKWINKKODLCBFA-INIZCTEOSA-N
XLogP3.70
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 75356834
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 91823359
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 91638899
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91821777
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
CID 124862866
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
CID 75490651
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935
2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4800248
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 91639108
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 124862588
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 97496369

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 91640727) is 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GKWINKKODLCBFA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18ClN5O3S/c22-14-6-2-1-5-13(14)11-27-19(29)16(25-21(27)30)8-9-18(28)26-20-24-17(12-31-20)15-7-3-4-10-23-15/h1-7,10,12,16H,8-9,11H2,(H,25,30)(H,24,26,28)/t16-/m0/s1.
What are the key properties of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 455.93 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 91640727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).