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

C11H16F3N3S — CID 114449736

IUPACN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CCCC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3S/c1-10(2)5-3-4-7(6-10)15-9-17-16-8(18-9)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17)
InChIKeyAUGDFVPPUULYOS-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.94
Rot. Bonds2

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

N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449736) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449736
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(C)CCCC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3S/c1-10(2)5-3-4-7(6-10)15-9-17-16-8(18-9)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17)
InChIKeyAUGDFVPPUULYOS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449736) is N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1(C)CCCC(Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AUGDFVPPUULYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-10(2)5-3-4-7(6-10)15-9-17-16-8(18-9)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).