(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione

C11H17N5O2S — CID 97027355

IUPAC(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(Cc2nsc(N(C)C)n2)C1=O
InChIInChI=1S/C11H17N5O2S/c1-4-5-7-9(17)16(10(18)12-7)6-8-13-11(15(2)3)19-14-8/h7H,4-6H2,1-3H3,(H,12,18)/t7-/m0/s1
InChIKeyDEWRHVFFYIYMPG-ZETCQYMHSA-N
MW283.36 g/mol
LogP0.82
Rot. Bonds5

About (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione

(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 97027355) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID97027355
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@H]1NC(=O)N(Cc2nsc(N(C)C)n2)C1=O
InChIInChI=1S/C11H17N5O2S/c1-4-5-7-9(17)16(10(18)12-7)6-8-13-11(15(2)3)19-14-8/h7H,4-6H2,1-3H3,(H,12,18)/t7-/m0/s1
InChIKeyDEWRHVFFYIYMPG-ZETCQYMHSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 97027355) is (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@@H]1NC(=O)N(Cc2nsc(N(C)C)n2)C1=O.
What is the InChIKey of (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is DEWRHVFFYIYMPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-5-7-9(17)16(10(18)12-7)6-8-13-11(15(2)3)19-14-8/h7H,4-6H2,1-3H3,(H,12,18)/t7-/m0/s1.
What are the key properties of (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione?
(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 283.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 97027355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).