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

C6H11N3S2 — CID 65130176

IUPAC3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(N)n1
InChIInChI=1S/C6H11N3S2/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyUSGIERDWRWRXTC-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.76
Rot. Bonds4

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

3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65130176) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65130176
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(N)n1
InChIInChI=1S/C6H11N3S2/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyUSGIERDWRWRXTC-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
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 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65130176) is 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCCSCc1nsc(N)n1.
What is the InChIKey of 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is USGIERDWRWRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 189.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65130176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).