2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol

C10H15F3N4OS — CID 107305537

IUPAC2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC1CCCN1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8-15-9(19-16-8)17(4-5-18)6-7-2-1-3-14-7/h7,14,18H,1-6H2
InChIKeyUKYUDTGEYBGLNU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.11
Rot. Bonds5

About 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol

2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305537) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305537
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCN(CC1CCCN1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8-15-9(19-16-8)17(4-5-18)6-7-2-1-3-14-7/h7,14,18H,1-6H2
InChIKeyUKYUDTGEYBGLNU-UHFFFAOYSA-N
XLogP1.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304686
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305317
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanamine
CID 107305472
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305522
N-methyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305523
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305525
N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305528
N-butyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305531
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305535
[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
5-[(Dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305711

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305537) is 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OCCN(CC1CCCN1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is UKYUDTGEYBGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c11-10(12,13)8-15-9(19-16-8)17(4-5-18)6-7-2-1-3-14-7/h7,14,18H,1-6H2.
What are the key properties of 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 296.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-ylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).