5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine

C11H15F3N4S — CID 154863533

IUPAC5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCC(Nc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)6-18-4-3-8(5-18)15-10-17-16-9(19-10)7-1-2-7/h7-8H,1-6H2,(H,15,17)
InChIKeyAQNSRCMMUCWTPT-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds4

About 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 154863533) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine
PubChem CID154863533
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCC(Nc2nnc(C3CC3)s2)C1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)6-18-4-3-8(5-18)15-10-17-16-9(19-10)7-1-2-7/h7-8H,1-6H2,(H,15,17)
InChIKeyAQNSRCMMUCWTPT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 53615777
5-cyclopropyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 97119104
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 65209098
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607323
4-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
CID 103577437
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106027097
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
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620677

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine (CID 154863533) is 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine is FC(F)(F)CN1CCC(Nc2nnc(C3CC3)s2)C1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AQNSRCMMUCWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)6-18-4-3-8(5-18)15-10-17-16-9(19-10)7-1-2-7/h7-8H,1-6H2,(H,15,17).
What are the key properties of 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 292.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 154863533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).