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

C7H9F2N3S — CID 71848646

IUPAC2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESFC(F)c1nnc(N2CCCC2)s1
InChIInChI=1S/C7H9F2N3S/c8-5(9)6-10-11-7(13-6)12-3-1-2-4-12/h5H,1-4H2
InChIKeyOZCPGDPCNCZSLG-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.08
Rot. Bonds2

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

2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 71848646) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID71848646
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESFC(F)c1nnc(N2CCCC2)s1
InChIInChI=1S/C7H9F2N3S/c8-5(9)6-10-11-7(13-6)12-3-1-2-4-12/h5H,1-4H2
InChIKeyOZCPGDPCNCZSLG-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 71848646) is 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole is FC(F)c1nnc(N2CCCC2)s1.
What is the InChIKey of 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is OZCPGDPCNCZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-5(9)6-10-11-7(13-6)12-3-1-2-4-12/h5H,1-4H2.
What are the key properties of 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 205.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 71848646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).