1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione

C10H13N5O3S — CID 62209214

IUPAC1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N5O3S/c1-3-4-11-7-6(12-13-19-7)5-15-9(17)8(16)14(2)10(15)18/h11H,3-5H2,1-2H3
InChIKeyUUAGJHRIIFWMLZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.28
Rot. Bonds5

About 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione

1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 62209214) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID62209214
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N5O3S/c1-3-4-11-7-6(12-13-19-7)5-15-9(17)8(16)14(2)10(15)18/h11H,3-5H2,1-2H3
InChIKeyUUAGJHRIIFWMLZ-UHFFFAOYSA-N
XLogP0.28
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62209223
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
CID 62209524
5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207477
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
1-methyl-3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 79775303
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280257
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
CID 62184364
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
CID 113382332
[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
CID 62208088
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 83222159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione (CID 62209214) is 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione is CCCNc1snnc1CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is UUAGJHRIIFWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-3-4-11-7-6(12-13-19-7)5-15-9(17)8(16)14(2)10(15)18/h11H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 283.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 62209214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).