N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine

C2H2Cl2N3OPS — CID 141049270

IUPACN-dichlorophosphoryl-1,2,4-thiadiazol-5-amine
SMILESO=P(Cl)(Cl)Nc1ncns1
InChIInChI=1S/C2H2Cl2N3OPS/c3-9(4,8)7-2-5-1-6-10-2/h1H,(H,5,6,7,8)
InChIKeyMQPVLLFQMOSRIL-UHFFFAOYSA-N
MW218.01 g/mol
LogP2.54
Rot. Bonds2

About N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine

N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine (PubChem CID 141049270) has the molecular formula C2H2Cl2N3OPS and a molecular weight of 218.01 g/mol. Its IUPAC name is N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-dichlorophosphoryl-1,2,4-thiadiazol-5-amine
PubChem CID141049270
Molecular FormulaC2H2Cl2N3OPS
Molecular Weight218.01 g/mol
Exact Mass216.90
IUPAC NameN-dichlorophosphoryl-1,2,4-thiadiazol-5-amine
SMILESO=P(Cl)(Cl)Nc1ncns1
InChIInChI=1S/C2H2Cl2N3OPS/c3-9(4,8)7-2-5-1-6-10-2/h1H,(H,5,6,7,8)
InChIKeyMQPVLLFQMOSRIL-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine (CID 141049270) is N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine is O=P(Cl)(Cl)Nc1ncns1.
What is the InChIKey of N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine?
The InChIKey is MQPVLLFQMOSRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2N3OPS/c3-9(4,8)7-2-5-1-6-10-2/h1H,(H,5,6,7,8).
What are the key properties of N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine?
N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine has a molecular weight of 218.01 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphoryl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 141049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).