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

C5H9N3S2 — CID 65130422

IUPAC3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(N)n1
InChIInChI=1S/C5H9N3S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3,(H2,6,7,8)
InChIKeyQXBRBPPQGYOBHF-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.37
Rot. Bonds3

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

3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65130422) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65130422
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC Name3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(N)n1
InChIInChI=1S/C5H9N3S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3,(H2,6,7,8)
InChIKeyQXBRBPPQGYOBHF-UHFFFAOYSA-N
XLogP1.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65130422) is 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCSCc1nsc(N)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QXBRBPPQGYOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3,(H2,6,7,8).
What are the key properties of 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65130422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).