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

C6H7N5O2S — CID 62208667

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESNc1snnc1CN1C(=O)CNC1=O
InChIInChI=1S/C6H7N5O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2,7H2,(H,8,13)
InChIKeyURQLUWTWJWJMIQ-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.83
Rot. Bonds2

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

3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 62208667) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID62208667
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESNc1snnc1CN1C(=O)CNC1=O
InChIInChI=1S/C6H7N5O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2,7H2,(H,8,13)
InChIKeyURQLUWTWJWJMIQ-UHFFFAOYSA-N
XLogP-0.83
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.83
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

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
3-[(5-Chlorothiadiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 43407931
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046622
5,5-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046675
5-Ethyl-5-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207144
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 62207312
3-[(5-Aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62207486
5,5-Dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207837
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62208007

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 62208667) is 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione is Nc1snnc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is URQLUWTWJWJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-5-3(9-10-14-5)2-11-4(12)1-8-6(11)13/h1-2,7H2,(H,8,13).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 213.22 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62208667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).