N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H12F3N3S2 — CID 107305144

IUPACN-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-5(3-4-15-2)12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVSIVHUUIOSUDDC-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.11
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305144) has the molecular formula C8H12F3N3S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305144
Molecular FormulaC8H12F3N3S2
Molecular Weight271.33 g/mol
Exact Mass271.04
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-5(3-4-15-2)12-7-13-6(14-16-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVSIVHUUIOSUDDC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,2,2-Trifluoroethyl)guanidino]-3-[2-(2-cyano-3-methylguanidino)-ethylthiomethyl]-1,2,4-thiadiazole
CID 21298796
1-[3-(2-Aminoethylsulfanylmethyl)-1,2,4-thiadiazol-5-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298866
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-propan-2-yl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964615
4,4,4-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]butan-2-amine
CID 80425345
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 80425493
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 80425507
1,1,1-Trifluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentan-3-amine
CID 80426258
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80429859
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305144) is N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CSCCC(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VSIVHUUIOSUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S2/c1-5(3-4-15-2)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-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 271.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).