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

C11H16F3N3S — CID 114448073

IUPACN-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(Nc2nnc(C(F)(F)F)s2)C1C
InChIInChI=1S/C11H16F3N3S/c1-6-4-3-5-8(7(6)2)15-10-17-16-9(18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyPGJDLPNUJXEPIJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.79
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448073) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448073
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(Nc2nnc(C(F)(F)F)s2)C1C
InChIInChI=1S/C11H16F3N3S/c1-6-4-3-5-8(7(6)2)15-10-17-16-9(18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyPGJDLPNUJXEPIJ-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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448073) is N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CCCC(Nc2nnc(C(F)(F)F)s2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PGJDLPNUJXEPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-6-4-3-5-8(7(6)2)15-10-17-16-9(18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).