4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine

C7H8Cl2N4O2S — CID 62870258

IUPAC4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine
SMILESO=S1(=O)CCC(Nc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C7H8Cl2N4O2S/c8-5-11-6(9)13-7(12-5)10-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,10,11,12,13)
InChIKeyLSQXFQSPKWZKSU-UHFFFAOYSA-N
MW283.14 g/mol
LogP0.78
Rot. Bonds2

About 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 62870258) has the molecular formula C7H8Cl2N4O2S and a molecular weight of 283.14 g/mol. Its IUPAC name is 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID62870258
Molecular FormulaC7H8Cl2N4O2S
Molecular Weight283.14 g/mol
Exact Mass281.97
IUPAC Name4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine
SMILESO=S1(=O)CCC(Nc2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C7H8Cl2N4O2S/c8-5-11-6(9)13-7(12-5)10-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,10,11,12,13)
InChIKeyLSQXFQSPKWZKSU-UHFFFAOYSA-N
XLogP0.78
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine (CID 62870258) is 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine is O=S1(=O)CCC(Nc2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is LSQXFQSPKWZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O2S/c8-5-11-6(9)13-7(12-5)10-4-1-2-16(14,15)3-4/h4H,1-3H2,(H,10,11,12,13).
What are the key properties of 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(1,1-dioxothiolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).