N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H15F3N4S — CID 114448250

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-17-10(19-9)15-5-7-3-4-18(6-7)8-1-2-8/h7-8H,1-6H2,(H,15,17)
InChIKeyIKOIUAKHJOBJKW-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.45
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448250) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448250
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC2CCN(C3CC3)C2)s1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-17-10(19-9)15-5-7-3-4-18(6-7)8-1-2-8/h7-8H,1-6H2,(H,15,17)
InChIKeyIKOIUAKHJOBJKW-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 97119104
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
2-(2,7-Diazaspiro[3.4]octan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 168209541
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 65209098
4-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
CID 103577437
N-(2-propylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924585
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973473
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106027097
N'-methyl-N'-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 106048630
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106600179
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620068

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448250) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCC2CCN(C3CC3)C2)s1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IKOIUAKHJOBJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)9-16-17-10(19-9)15-5-7-3-4-18(6-7)8-1-2-8/h7-8H,1-6H2,(H,15,17).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 292.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).