N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C10H16F3N3S2 — CID 104924523

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)(CNc1nnc(C(F)(F)F)s1)SC
InChIInChI=1S/C10H16F3N3S2/c1-4-9(5-2,17-3)6-14-8-16-15-7(18-8)10(11,12)13/h4-6H2,1-3H3,(H,14,16)
InChIKeyMIKDVBGDAADKJO-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.89
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924523) has the molecular formula C10H16F3N3S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924523
Molecular FormulaC10H16F3N3S2
Molecular Weight299.39 g/mol
Exact Mass299.07
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)(CNc1nnc(C(F)(F)F)s1)SC
InChIInChI=1S/C10H16F3N3S2/c1-4-9(5-2,17-3)6-14-8-16-15-7(18-8)10(11,12)13/h4-6H2,1-3H3,(H,14,16)
InChIKeyMIKDVBGDAADKJO-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.89
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)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924523) is N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCC(CC)(CNc1nnc(C(F)(F)F)s1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MIKDVBGDAADKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S2/c1-4-9(5-2,17-3)6-14-8-16-15-7(18-8)10(11,12)13/h4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 299.39 g/mol, XLogP of 3.89, 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)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).