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

C4H7N3S2 — CID 62691499

IUPAC3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(N)n1
InChIInChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyJGRZQIRBTFSFSR-UHFFFAOYSA-N
MW161.26 g/mol
LogP0.98
Rot. Bonds2

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

3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 62691499) has the molecular formula C4H7N3S2 and a molecular weight of 161.26 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID62691499
Molecular FormulaC4H7N3S2
Molecular Weight161.26 g/mol
Exact Mass161.01
IUPAC Name3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(N)n1
InChIInChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyJGRZQIRBTFSFSR-UHFFFAOYSA-N
XLogP0.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 62691499) is 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CSCc1nsc(N)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JGRZQIRBTFSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7).
What are the key properties of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 161.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 62691499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).