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

C11H21N3S2 — CID 65268336

IUPAC3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CSC(C)(C)C)ns1
InChIInChI=1S/C11H21N3S2/c1-8(2)6-12-10-13-9(14-16-10)7-15-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyQMUBPEYCLXILFY-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.64
Rot. Bonds5

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

3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268336) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268336
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Name3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CSC(C)(C)C)ns1
InChIInChI=1S/C11H21N3S2/c1-8(2)6-12-10-13-9(14-16-10)7-15-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyQMUBPEYCLXILFY-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268336) is 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(CSC(C)(C)C)ns1.
What is the InChIKey of 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QMUBPEYCLXILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-8(2)6-12-10-13-9(14-16-10)7-15-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 259.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).