5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine

C5H8ClN3S2 — CID 13142198

IUPAC5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCCCl)s1
InChIInChI=1S/C5H8ClN3S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3H2,(H2,7,8)
InChIKeyVEHHYNHKBMNXLP-UHFFFAOYSA-N
MW209.73 g/mol
LogP1.84
Rot. Bonds4

About 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 13142198) has the molecular formula C5H8ClN3S2 and a molecular weight of 209.73 g/mol. Its IUPAC name is 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID13142198
Molecular FormulaC5H8ClN3S2
Molecular Weight209.73 g/mol
Exact Mass208.98
IUPAC Name5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCCCl)s1
InChIInChI=1S/C5H8ClN3S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3H2,(H2,7,8)
InChIKeyVEHHYNHKBMNXLP-UHFFFAOYSA-N
XLogP1.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 13142198) is 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCCCCl)s1.
What is the InChIKey of 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VEHHYNHKBMNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3H2,(H2,7,8).
What are the key properties of 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13142198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).