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

C9H13F3N4S — CID 107305342

IUPACN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-13-4-6-2-3-16(5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyQRTNAZLWKRMFLM-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.60
Rot. Bonds3

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

N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine (PubChem CID 107305342) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
PubChem CID107305342
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-13-4-6-2-3-16(5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyQRTNAZLWKRMFLM-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
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-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
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
5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278555
3-propan-2-yl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79840088
N-(2-methylpropyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964699
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine (CID 107305342) is N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine is CNCC1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is QRTNAZLWKRMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-13-4-6-2-3-16(5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 266.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 107305342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).