5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

C11H16F3N3S — CID 107647933

IUPAC5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-5-3-7(4-6-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyGVURKKLDHSKXCO-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.63
Rot. Bonds3

About 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647933) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID107647933
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-5-3-7(4-6-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyGVURKKLDHSKXCO-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647731
5-tert-butyl-N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 172436004
N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
2-methyl-N-[4-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230439
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 45820941
1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 47197684
N-(3-methyl-2-propan-2-ylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 102914147
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 103731084
N-(3-cyclopentylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104923827
N-(2-propylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924585

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 107647933) is 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GVURKKLDHSKXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-2-9-16-17-10(18-9)15-8-5-3-7(4-6-8)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).