(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C12H18N4O2S — CID 124506209

IUPAC(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(CCc2cnn(C)c2)C1=O
InChIInChI=1S/C12H18N4O2S/c1-15-8-9(7-13-15)3-5-16-11(17)10(4-6-19-2)14-12(16)18/h7-8,10H,3-6H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyHQJZUUZBFAJTLT-SNVBAGLBSA-N
MW282.37 g/mol
LogP0.64
Rot. Bonds6

About (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 124506209) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID124506209
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(CCc2cnn(C)c2)C1=O
InChIInChI=1S/C12H18N4O2S/c1-15-8-9(7-13-15)3-5-16-11(17)10(4-6-19-2)14-12(16)18/h7-8,10H,3-6H2,1-2H3,(H,14,18)/t10-/m1/s1
InChIKeyHQJZUUZBFAJTLT-SNVBAGLBSA-N
XLogP0.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
3-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 80686659
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 124752517
(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 97339229
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40895375
1-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103014159
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 124506209) is (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCC[C@H]1NC(=O)N(CCc2cnn(C)c2)C1=O.
What is the InChIKey of (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is HQJZUUZBFAJTLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-15-8-9(7-13-15)3-5-16-11(17)10(4-6-19-2)14-12(16)18/h7-8,10H,3-6H2,1-2H3,(H,14,18)/t10-/m1/s1.
What are the key properties of (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 282.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124506209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).