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

C10H15N5O2S — CID 62209223

IUPAC1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-11-9-7(12-13-18-9)5-15-8(16)6-14(2)10(15)17/h11H,3-6H2,1-2H3
InChIKeyCLHAABKWTFWJKG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.75
Rot. Bonds5

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

1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 62209223) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID62209223
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-11-9-7(12-13-18-9)5-15-8(16)6-14(2)10(15)17/h11H,3-6H2,1-2H3
InChIKeyCLHAABKWTFWJKG-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.75
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

1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 62209214
3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 43407937
5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207477
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
CID 62209524
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
CID 79941763
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
CID 113382332
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770509
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
4-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-dihydroquinoxalin-2-one
CID 62182352
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-dione?
The IUPAC name of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 62209223) is 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is CCCNc1snnc1CN1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is CLHAABKWTFWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-4-11-9-7(12-13-18-9)5-15-8(16)6-14(2)10(15)17/h11H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 269.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62209223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).