N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4S — CID 133493427

IUPACN-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CN(C(C)C)CC1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-6(2)18-4-7(3)8(5-18)15-10-17-16-9(19-10)11(12,13)14/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyRGXKMVYYZHQINF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds3

About N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133493427) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133493427
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CN(C(C)C)CC1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-6(2)18-4-7(3)8(5-18)15-10-17-16-9(19-10)11(12,13)14/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyRGXKMVYYZHQINF-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
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
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
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
N-propyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607634
N-ethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607735
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133493427) is N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CN(C(C)C)CC1Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RGXKMVYYZHQINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-6(2)18-4-7(3)8(5-18)15-10-17-16-9(19-10)11(12,13)14/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).