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

C17H13ClN4O3S — CID 6601508

IUPAC(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C17H13ClN4O3S/c1-17(10-2-4-11(18)5-3-10)14(24)22(15(25)20-17)9-12-8-13(23)21-6-7-26-16(21)19-12/h2-8H,9H2,1H3,(H,20,25)/t17-/m1/s1
InChIKeyWQLJOVJQWIPWDQ-QGZVFWFLSA-N
MW388.84 g/mol
LogP2.38
Rot. Bonds3

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

(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 6601508) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID6601508
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC Name(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C17H13ClN4O3S/c1-17(10-2-4-11(18)5-3-10)14(24)22(15(25)20-17)9-12-8-13(23)21-6-7-26-16(21)19-12/h2-8H,9H2,1H3,(H,20,25)/t17-/m1/s1
InChIKeyWQLJOVJQWIPWDQ-QGZVFWFLSA-N
XLogP2.38
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 52.38
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

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
(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
(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-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 55479686
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749
(5S)-5-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7907582

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (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) is (5R)-5-(4-chlorophenyl)-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 (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is WQLJOVJQWIPWDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c1-17(10-2-4-11(18)5-3-10)14(24)22(15(25)20-17)9-12-8-13(23)21-6-7-26-16(21)19-12/h2-8H,9H2,1H3,(H,20,25)/t17-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 388.84 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 6601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).