N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C5H9N3S2 — CID 134315292

IUPACN-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCNc1ncns1
InChIInChI=1S/C5H9N3S2/c1-2-9-4-7-5-6-3-8-10-5/h3H,2,4H2,1H3,(H,6,7,8)
InChIKeyDCNJJDHZWUEZNZ-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.66
Rot. Bonds4

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

N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 134315292) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID134315292
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC NameN-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCNc1ncns1
InChIInChI=1S/C5H9N3S2/c1-2-9-4-7-5-6-3-8-10-5/h3H,2,4H2,1H3,(H,6,7,8)
InChIKeyDCNJJDHZWUEZNZ-UHFFFAOYSA-N
XLogP1.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 134315292) is N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCSCNc1ncns1.
What is the InChIKey of N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DCNJJDHZWUEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-2-9-4-7-5-6-3-8-10-5/h3H,2,4H2,1H3,(H,6,7,8).
What are the key properties of N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 134315292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).