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

C11H16F3N3S — CID 107304996

IUPACN-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(Nc2nc(C(F)(F)F)ns2)CC1C
InChIInChI=1S/C11H16F3N3S/c1-6-3-4-8(5-7(6)2)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyAUDFEYITLSIARX-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.79
Rot. Bonds2

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

N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304996) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304996
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(Nc2nc(C(F)(F)F)ns2)CC1C
InChIInChI=1S/C11H16F3N3S/c1-6-3-4-8(5-7(6)2)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyAUDFEYITLSIARX-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304679
N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274405
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 146127075
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
N-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107305293
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133333839
4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid
CID 107304378
4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107305006
N-(3,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64742884
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304996) is N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCC(Nc2nc(C(F)(F)F)ns2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AUDFEYITLSIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-6-3-4-8(5-7(6)2)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 279.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).