N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H12F3N3S2 — CID 107304967

IUPACN-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCC(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-5(4-15-2)3-12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNFBTVBMLKSKZSC-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.97
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304967) has the molecular formula C8H12F3N3S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304967
Molecular FormulaC8H12F3N3S2
Molecular Weight271.33 g/mol
Exact Mass271.04
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCC(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-5(4-15-2)3-12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNFBTVBMLKSKZSC-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304967) is N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CSCC(C)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NFBTVBMLKSKZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S2/c1-5(4-15-2)3-12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 271.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).