2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole

C9H12F3N3OS — CID 114796320

IUPAC2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(OCCC2CCNC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-15-8(17-7)16-4-2-6-1-3-13-5-6/h6,13H,1-5H2
InChIKeyICUNVSNTVSUFFP-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.94
Rot. Bonds4

About 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 114796320) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID114796320
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(OCCC2CCNC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-15-8(17-7)16-4-2-6-1-3-13-5-6/h6,13H,1-5H2
InChIKeyICUNVSNTVSUFFP-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2-piperidin-3-ylethoxy)-1,3,4-thiadiazole
CID 65208510
4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 114270201
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
5-nitro-4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 106750147
3,6-dichloro-4-(2-pyrrolidin-3-ylethoxy)pyridazine
CID 114796380
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
2-fluoro-4-(2-pyrrolidin-3-ylethoxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 167896040
6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
CID 114796594
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 114796320) is 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(OCCC2CCNC2)s1.
What is the InChIKey of 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is ICUNVSNTVSUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-15-8(17-7)16-4-2-6-1-3-13-5-6/h6,13H,1-5H2.
What are the key properties of 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 267.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 114796320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).