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

C9H13N5O2S — CID 55046622

IUPAC3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N5O2S/c1-2-3-10-8-6(12-13-17-8)5-14-7(15)4-11-9(14)16/h10H,2-5H2,1H3,(H,11,16)
InChIKeyGRIFUNMJKXVVIF-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.41
Rot. Bonds5

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

3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55046622) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID55046622
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N5O2S/c1-2-3-10-8-6(12-13-17-8)5-14-7(15)4-11-9(14)16/h10H,2-5H2,1H3,(H,11,16)
InChIKeyGRIFUNMJKXVVIF-UHFFFAOYSA-N
XLogP0.41
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Acetyl-5-methyl-3-(4-methyl-1,2,3-thiadiazol-5-yl)imidazolidine-2,4-dione
CID 129875569
5-Fluoro-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557395
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63557396
5-Fluoro-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557397
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265487
5-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265689
3-[(5-Aminothiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265690
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046232
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 55046322

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 55046622) is 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is CCCNc1snnc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GRIFUNMJKXVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-2-3-10-8-6(12-13-17-8)5-14-7(15)4-11-9(14)16/h10H,2-5H2,1H3,(H,11,16).
What are the key properties of 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 255.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55046622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).