2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

C9H13F2N3S — CID 127749765

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(F)(F)C2)s1
InChIInChI=1S/C9H13F2N3S/c1-6(2)7-12-13-8(15-7)14-4-3-9(10,11)5-14/h6H,3-5H2,1-2H3
InChIKeyDRFKCUCGTNEFOG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.51
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 127749765) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID127749765
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(F)(F)C2)s1
InChIInChI=1S/C9H13F2N3S/c1-6(2)7-12-13-8(15-7)14-4-3-9(10,11)5-14/h6H,3-5H2,1-2H3
InChIKeyDRFKCUCGTNEFOG-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (CID 127749765) is 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CCC(F)(F)C2)s1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is DRFKCUCGTNEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c1-6(2)7-12-13-8(15-7)14-4-3-9(10,11)5-14/h6H,3-5H2,1-2H3.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 233.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 127749765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).