[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine

C9H13F3N4S — CID 107305480

IUPAC[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4S/c1-5-2-6(3-13)4-16(5)8-14-7(15-17-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyXMDYQTZPKHCGAW-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.73
Rot. Bonds2

About [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine (PubChem CID 107305480) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
PubChem CID107305480
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4S/c1-5-2-6(3-13)4-16(5)8-14-7(15-17-8)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyXMDYQTZPKHCGAW-UHFFFAOYSA-N
XLogP1.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
3-tert-butyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052698
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 105554549
N-(2-ethylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758902
N-(2-propylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105778734
N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106126618
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine (CID 107305480) is [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is XMDYQTZPKHCGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-5-2-6(3-13)4-16(5)8-14-7(15-17-8)9(10,11)12/h5-6H,2-4,13H2,1H3.
What are the key properties of [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 266.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 107305480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).