1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride

C7H9ClN4O2S — CID 175802168

IUPAC1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.NCN1C(=O)NC(=O)C1c1cscn1
InChIInChI=1S/C7H8N4O2S.ClH/c8-2-11-5(4-1-14-3-9-4)6(12)10-7(11)13;/h1,3,5H,2,8H2,(H,10,12,13);1H
InChIKeyHXYAUDINMVHPKT-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.07
Rot. Bonds2

About 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride

1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride (PubChem CID 175802168) has the molecular formula C7H9ClN4O2S and a molecular weight of 248.69 g/mol. Its IUPAC name is 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
PubChem CID175802168
Molecular FormulaC7H9ClN4O2S
Molecular Weight248.69 g/mol
Exact Mass248.01
IUPAC Name1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.NCN1C(=O)NC(=O)C1c1cscn1
InChIInChI=1S/C7H8N4O2S.ClH/c8-2-11-5(4-1-14-3-9-4)6(12)10-7(11)13;/h1,3,5H,2,8H2,(H,10,12,13);1H
InChIKeyHXYAUDINMVHPKT-UHFFFAOYSA-N
XLogP0.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride (CID 175802168) is 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride is Cl.NCN1C(=O)NC(=O)C1c1cscn1.
What is the InChIKey of 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride?
The InChIKey is HXYAUDINMVHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S.ClH/c8-2-11-5(4-1-14-3-9-4)6(12)10-7(11)13;/h1,3,5H,2,8H2,(H,10,12,13);1H.
What are the key properties of 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride?
1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride has a molecular weight of 248.69 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 175802168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).