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

C19H15FN4O3S2 — CID 110209655

IUPAC2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C19H15FN4O3S2/c20-12-4-1-3-11(7-12)9-24-17(26)13(22-19(24)27)8-16(25)23-18-21-14(10-29-18)15-5-2-6-28-15/h1-7,10,13H,8-9H2,(H,22,27)(H,21,23,25)
InChIKeyZLOUHXOPGKWJDE-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.46
Rot. Bonds6

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

2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 110209655) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID110209655
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C19H15FN4O3S2/c20-12-4-1-3-11(7-12)9-24-17(26)13(22-19(24)27)8-16(25)23-18-21-14(10-29-18)15-5-2-6-28-15/h1-7,10,13H,8-9H2,(H,22,27)(H,21,23,25)
InChIKeyZLOUHXOPGKWJDE-UHFFFAOYSA-N
XLogP3.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.46
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-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91638917
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91822758
methyl 2-[[2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91640453
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
3-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 91639201
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864224
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71828705
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 110209655) is 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(CC1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZLOUHXOPGKWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c20-12-4-1-3-11(7-12)9-24-17(26)13(22-19(24)27)8-16(25)23-18-21-14(10-29-18)15-5-2-6-28-15/h1-7,10,13H,8-9H2,(H,22,27)(H,21,23,25).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110209655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).