N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C10H12F3N3S — CID 114448595

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC3CCC2C3)s1
InChIInChI=1S/C10H12F3N3S/c11-10(12,13)8-15-16-9(17-8)14-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,14,16)
InChIKeyFSAVBYQGLRVFPG-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.16
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448595) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448595
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CC3CCC2C3)s1
InChIInChI=1S/C10H12F3N3S/c11-10(12,13)8-15-16-9(17-8)14-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,14,16)
InChIKeyFSAVBYQGLRVFPG-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448075
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647773
N-(2,3-dimethylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448073
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
CID 114449720
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
CID 90793029
2-(2-bicyclo[2.2.1]heptanylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874112
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924701
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 38782443
N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448787
N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine
CID 130863721
[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
CID 99700162

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448595) is N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CC3CCC2C3)s1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FSAVBYQGLRVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c11-10(12,13)8-15-16-9(17-8)14-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,14,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).