2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole

C9H11F2N3S — CID 171333909

IUPAC2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)C1CN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C9H11F2N3S/c10-7(11)6-3-14(4-6)9-13-12-8(15-9)5-1-2-5/h5-7H,1-4H2
InChIKeySSZODPBIHNQEIK-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.12
Rot. Bonds3

About 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole (PubChem CID 171333909) has the molecular formula C9H11F2N3S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole
PubChem CID171333909
Molecular FormulaC9H11F2N3S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)C1CN(c2nnc(C3CC3)s2)C1
InChIInChI=1S/C9H11F2N3S/c10-7(11)6-3-14(4-6)9-13-12-8(15-9)5-1-2-5/h5-7H,1-4H2
InChIKeySSZODPBIHNQEIK-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole (CID 171333909) is 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole is FC(F)C1CN(c2nnc(C3CC3)s2)C1.
What is the InChIKey of 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is SSZODPBIHNQEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3S/c10-7(11)6-3-14(4-6)9-13-12-8(15-9)5-1-2-5/h5-7H,1-4H2.
What are the key properties of 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 231.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 171333909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).