5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

C17H12ClFN4O3S — CID 56518457

IUPAC5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C17H12ClFN4O3S/c1-17(11-3-2-9(19)6-12(11)18)14(25)23(15(26)21-17)8-10-7-13(24)22-4-5-27-16(22)20-10/h2-7H,8H2,1H3,(H,21,26)
InChIKeyNSHRUMNDXAAEJQ-UHFFFAOYSA-N
MW406.83 g/mol
LogP2.52
Rot. Bonds3

About 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 56518457) has the molecular formula C17H12ClFN4O3S and a molecular weight of 406.83 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID56518457
Molecular FormulaC17H12ClFN4O3S
Molecular Weight406.83 g/mol
Exact Mass406.03
IUPAC Name5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C17H12ClFN4O3S/c1-17(11-3-2-9(19)6-12(11)18)14(25)23(15(26)21-17)8-10-7-13(24)22-4-5-27-16(22)20-10/h2-7H,8H2,1H3,(H,21,26)
InChIKeyNSHRUMNDXAAEJQ-UHFFFAOYSA-N
XLogP2.52
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 6601508
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2583340
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 56518839
(4R)-3'-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9105431
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
5-(2,4-dichlorophenyl)-5-methyl-3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 24556958
7-[(N-ethyl-4-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 141442091
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 56518457) is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NSHRUMNDXAAEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O3S/c1-17(11-3-2-9(19)6-12(11)18)14(25)23(15(26)21-17)8-10-7-13(24)22-4-5-27-16(22)20-10/h2-7H,8H2,1H3,(H,21,26).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 406.83 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56518457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).