3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole

C6H7F2N3S — CID 141352818

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2ncsn2)C1
InChIInChI=1S/C6H7F2N3S/c7-6(8)1-2-11(3-6)5-9-4-12-10-5/h4H,1-3H2
InChIKeyPZBKQTYCIAJCJS-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.38
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole

3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole (PubChem CID 141352818) has the molecular formula C6H7F2N3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
PubChem CID141352818
Molecular FormulaC6H7F2N3S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2ncsn2)C1
InChIInChI=1S/C6H7F2N3S/c7-6(8)1-2-11(3-6)5-9-4-12-10-5/h4H,1-3H2
InChIKeyPZBKQTYCIAJCJS-UHFFFAOYSA-N
XLogP1.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole (CID 141352818) is 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole is FC1(F)CCN(c2ncsn2)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is PZBKQTYCIAJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S/c7-6(8)1-2-11(3-6)5-9-4-12-10-5/h4H,1-3H2.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole?
3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 191.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 141352818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).