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

C20H16ClN5O3S — CID 91823359

IUPAC2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H16ClN5O3S/c21-14-6-2-1-4-13(14)10-26-18(28)15(24-20(26)29)8-17(27)25-19-23-16(11-30-19)12-5-3-7-22-9-12/h1-7,9,11,15H,8,10H2,(H,24,29)(H,23,25,27)
InChIKeyKDVGEMIJIKCXPY-UHFFFAOYSA-N
MW441.90 g/mol
LogP3.31
Rot. Bonds6

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

2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 91823359) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID91823359
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC Name2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H16ClN5O3S/c21-14-6-2-1-4-13(14)10-26-18(28)15(24-20(26)29)8-17(27)25-19-23-16(11-30-19)12-5-3-7-22-9-12/h1-7,9,11,15H,8,10H2,(H,24,29)(H,23,25,27)
InChIKeyKDVGEMIJIKCXPY-UHFFFAOYSA-N
XLogP3.31
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.31
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

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-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 91640727
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
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124860659
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 110209655
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 91823359) is 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is O=C(CC1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KDVGEMIJIKCXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c21-14-6-2-1-4-13(14)10-26-18(28)15(24-20(26)29)8-17(27)25-19-23-16(11-30-19)12-5-3-7-22-9-12/h1-7,9,11,15H,8,10H2,(H,24,29)(H,23,25,27).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 441.90 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 91823359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).