5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine

C5H9FN4S — CID 126976305

IUPAC5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCF)n1
InChIInChI=1S/C5H9FN4S/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H3,7,8,9,10)
InChIKeyXMTMHVATKKIPRD-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.89
Rot. Bonds4

About 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 126976305) has the molecular formula C5H9FN4S and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID126976305
Molecular FormulaC5H9FN4S
Molecular Weight176.22 g/mol
Exact Mass176.05
IUPAC Name5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCF)n1
InChIInChI=1S/C5H9FN4S/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H3,7,8,9,10)
InChIKeyXMTMHVATKKIPRD-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine (CID 126976305) is 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCCCF)n1.
What is the InChIKey of 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is XMTMHVATKKIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4S/c6-2-1-3-8-5-9-4(7)10-11-5/h1-3H2,(H3,7,8,9,10).
What are the key properties of 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 176.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 126976305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).