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

C15H13FN4O3S — CID 91638917

IUPAC2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nccs1
InChIInChI=1S/C15H13FN4O3S/c16-10-3-1-2-9(6-10)8-20-13(22)11(18-15(20)23)7-12(21)19-14-17-4-5-24-14/h1-6,11H,7-8H2,(H,18,23)(H,17,19,21)/t11-/m0/s1
InChIKeyFTGZKFLJACQBGU-NSHDSACASA-N
MW348.36 g/mol
LogP1.73
Rot. Bonds5

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

2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 91638917) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID91638917
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nccs1
InChIInChI=1S/C15H13FN4O3S/c16-10-3-1-2-9(6-10)8-20-13(22)11(18-15(20)23)7-12(21)19-14-17-4-5-24-14/h1-6,11H,7-8H2,(H,18,23)(H,17,19,21)/t11-/m0/s1
InChIKeyFTGZKFLJACQBGU-NSHDSACASA-N
XLogP1.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91822758
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 110209655
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91821777
methyl 2-[[2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91640453
3-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 91639201
N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864224
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 99871503
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 5055902
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 91638917) is 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nccs1.
What is the InChIKey of 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FTGZKFLJACQBGU-NSHDSACASA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-10-3-1-2-9(6-10)8-20-13(22)11(18-15(20)23)7-12(21)19-14-17-4-5-24-14/h1-6,11H,7-8H2,(H,18,23)(H,17,19,21)/t11-/m0/s1.
What are the key properties of 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 91638917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).