N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine

C5H8ClN3S — CID 65277273

IUPACN-(3-chloropropyl)-1,2,4-thiadiazol-5-amine
SMILESClCCCNc1ncns1
InChIInChI=1S/C5H8ClN3S/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3H2,(H,7,8,9)
InChIKeyHJPNJSWGLFRUSX-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.58
Rot. Bonds4

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

N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277273) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65277273
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC NameN-(3-chloropropyl)-1,2,4-thiadiazol-5-amine
SMILESClCCCNc1ncns1
InChIInChI=1S/C5H8ClN3S/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3H2,(H,7,8,9)
InChIKeyHJPNJSWGLFRUSX-UHFFFAOYSA-N
XLogP1.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine (CID 65277273) is N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine is ClCCCNc1ncns1.
What is the InChIKey of N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HJPNJSWGLFRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S/c6-2-1-3-7-5-8-4-9-10-5/h4H,1-3H2,(H,7,8,9).
What are the key properties of N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine?
N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 177.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).