N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine

C9H17N3S2 — CID 103865934

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)(CNc1ncns1)SC
InChIInChI=1S/C9H17N3S2/c1-4-9(5-2,13-3)6-10-8-11-7-12-14-8/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyFVBMLIVYVXFZCG-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.87
Rot. Bonds6

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

N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103865934) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID103865934
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)(CNc1ncns1)SC
InChIInChI=1S/C9H17N3S2/c1-4-9(5-2,13-3)6-10-8-11-7-12-14-8/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyFVBMLIVYVXFZCG-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine (CID 103865934) is N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine is CCC(CC)(CNc1ncns1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FVBMLIVYVXFZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-4-9(5-2,13-3)6-10-8-11-7-12-14-8/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 231.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103865934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).