3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C7H13N3S2 — CID 65133926

IUPAC3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)SCc1nsc(N)n1
InChIInChI=1S/C7H13N3S2/c1-7(2,3)11-4-5-9-6(8)12-10-5/h4H2,1-3H3,(H2,8,9,10)
InChIKeyZDPRRPUPJYPCHL-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.15
Rot. Bonds2

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

3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65133926) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65133926
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)SCc1nsc(N)n1
InChIInChI=1S/C7H13N3S2/c1-7(2,3)11-4-5-9-6(8)12-10-5/h4H2,1-3H3,(H2,8,9,10)
InChIKeyZDPRRPUPJYPCHL-UHFFFAOYSA-N
XLogP2.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65133926) is 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)SCc1nsc(N)n1.
What is the InChIKey of 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZDPRRPUPJYPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-7(2,3)11-4-5-9-6(8)12-10-5/h4H2,1-3H3,(H2,8,9,10).
What are the key properties of 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65133926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).