(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione

C12H11ClN4O3S — CID 95339858

IUPAC(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)no1
InChIInChI=1S/C12H11ClN4O3S/c1-6-14-9(16-20-6)5-17-10(18)12(2,15-11(17)19)7-3-4-8(13)21-7/h3-4H,5H2,1-2H3,(H,15,19)/t12-/m1/s1
InChIKeyLJAFKQRIKBOHIW-GFCCVEGCSA-N
MW326.77 g/mol
LogP2.06
Rot. Bonds3

About (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 95339858) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID95339858
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)no1
InChIInChI=1S/C12H11ClN4O3S/c1-6-14-9(16-20-6)5-17-10(18)12(2,15-11(17)19)7-3-4-8(13)21-7/h3-4H,5H2,1-2H3,(H,15,19)/t12-/m1/s1
InChIKeyLJAFKQRIKBOHIW-GFCCVEGCSA-N
XLogP2.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 52.06
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-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95325192
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70782918
(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
CID 52533599
5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 43047103
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106410048
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94026664
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55578823
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 78878886
1-benzyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 56684743
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione (CID 95339858) is (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1nc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)no1.
What is the InChIKey of (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LJAFKQRIKBOHIW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-6-14-9(16-20-6)5-17-10(18)12(2,15-11(17)19)7-3-4-8(13)21-7/h3-4H,5H2,1-2H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 326.77 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95339858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).