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

C7H8F3N3S — CID 86234257

IUPAC2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCCC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H2
InChIKeyGVSZDMJVYFUKAO-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.16
Rot. Bonds1

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

2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 86234257) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID86234257
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCCC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H2
InChIKeyGVSZDMJVYFUKAO-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 86234257) is 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCCC2)s1.
What is the InChIKey of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is GVSZDMJVYFUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H2.
What are the key properties of 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 223.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 86234257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).