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

C10H15F3N4OS — CID 107305711

IUPAC5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-16(2)4-6-3-7(18)5-17(6)9-14-8(15-19-9)10(11,12)13/h6-7,18H,3-5H2,1-2H3
InChIKeyKPQWYAJJNXLUEV-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.06
Rot. Bonds3

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

5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 107305711) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
PubChem CID107305711
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-16(2)4-6-3-7(18)5-17(6)9-14-8(15-19-9)10(11,12)13/h6-7,18H,3-5H2,1-2H3
InChIKeyKPQWYAJJNXLUEV-UHFFFAOYSA-N
XLogP1.06
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305537
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305678
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305696
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
CID 107305727
(3R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305738
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305739
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305752
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305759
[1-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-yl]methanol
CID 137888303
5-[(Dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 66052032

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol (CID 107305711) is 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is KPQWYAJJNXLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-16(2)4-6-3-7(18)5-17(6)9-14-8(15-19-9)10(11,12)13/h6-7,18H,3-5H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 296.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 107305711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).