(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione

C13H19N3O2S2 — CID 97339229

IUPAC(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(Cc2nc(C(C)C)cs2)C1=O
InChIInChI=1S/C13H19N3O2S2/c1-8(2)10-7-20-11(14-10)6-16-12(17)9(4-5-19-3)15-13(16)18/h7-9H,4-6H2,1-3H3,(H,15,18)/t9-/m1/s1
InChIKeyBOYBYAXTKSXGCZ-SECBINFHSA-N
MW313.45 g/mol
LogP2.44
Rot. Bonds6

About (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 97339229) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID97339229
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(Cc2nc(C(C)C)cs2)C1=O
InChIInChI=1S/C13H19N3O2S2/c1-8(2)10-7-20-11(14-10)6-16-12(17)9(4-5-19-3)15-13(16)18/h7-9H,4-6H2,1-3H3,(H,15,18)/t9-/m1/s1
InChIKeyBOYBYAXTKSXGCZ-SECBINFHSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.44
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

(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 29358215
3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 82147808
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
(5S)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 40875043
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 124506209
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
CID 86793057
(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 43320524

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 97339229) is (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione is CSCC[C@H]1NC(=O)N(Cc2nc(C(C)C)cs2)C1=O.
What is the InChIKey of (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BOYBYAXTKSXGCZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-8(2)10-7-20-11(14-10)6-16-12(17)9(4-5-19-3)15-13(16)18/h7-9H,4-6H2,1-3H3,(H,15,18)/t9-/m1/s1.
What are the key properties of (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 313.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97339229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).