5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine

C4H7ClN4S — CID 118373196

IUPAC5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCNCl)s1
InChIInChI=1S/C4H7ClN4S/c5-7-2-1-3-8-9-4(6)10-3/h7H,1-2H2,(H2,6,9)
InChIKeyAHBPMCMSCMCOFZ-UHFFFAOYSA-N
MW178.65 g/mol
LogP0.41
Rot. Bonds3

About 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine

5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 118373196) has the molecular formula C4H7ClN4S and a molecular weight of 178.65 g/mol. Its IUPAC name is 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID118373196
Molecular FormulaC4H7ClN4S
Molecular Weight178.65 g/mol
Exact Mass178.01
IUPAC Name5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCNCl)s1
InChIInChI=1S/C4H7ClN4S/c5-7-2-1-3-8-9-4(6)10-3/h7H,1-2H2,(H2,6,9)
InChIKeyAHBPMCMSCMCOFZ-UHFFFAOYSA-N
XLogP0.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.65
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine (CID 118373196) is 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCNCl)s1.
What is the InChIKey of 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AHBPMCMSCMCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4S/c5-7-2-1-3-8-9-4(6)10-3/h7H,1-2H2,(H2,6,9).
What are the key properties of 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 178.65 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloroamino)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118373196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).