5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole

C7H8ClF2N3S — CID 131110926

IUPAC5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole
SMILESFC1(F)CCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C7H8ClF2N3S/c8-6-5(11-12-14-6)3-13-2-1-7(9,10)4-13/h1-4H2
InChIKeyKCHJAZIZTWSHKW-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole

5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole (PubChem CID 131110926) has the molecular formula C7H8ClF2N3S and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole
PubChem CID131110926
Molecular FormulaC7H8ClF2N3S
Molecular Weight239.68 g/mol
Exact Mass239.01
IUPAC Name5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole
SMILESFC1(F)CCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C7H8ClF2N3S/c8-6-5(11-12-14-6)3-13-2-1-7(9,10)4-13/h1-4H2
InChIKeyKCHJAZIZTWSHKW-UHFFFAOYSA-N
XLogP2.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole (CID 131110926) is 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole is FC1(F)CCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole?
The InChIKey is KCHJAZIZTWSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3S/c8-6-5(11-12-14-6)3-13-2-1-7(9,10)4-13/h1-4H2.
What are the key properties of 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole has a molecular weight of 239.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 131110926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).