2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C9H14FN3S — CID 172900405

IUPAC2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CC(CF)C2)s1
InChIInChI=1S/C9H14FN3S/c1-6(2)8-11-12-9(14-8)13-4-7(3-10)5-13/h6-7H,3-5H2,1-2H3
InChIKeyQZPLCCDAXSKHPW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds3

About 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 172900405) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID172900405
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CC(CF)C2)s1
InChIInChI=1S/C9H14FN3S/c1-6(2)8-11-12-9(14-8)13-4-7(3-10)5-13/h6-7H,3-5H2,1-2H3
InChIKeyQZPLCCDAXSKHPW-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 172900405) is 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CC(CF)C2)s1.
What is the InChIKey of 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is QZPLCCDAXSKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-6(2)8-11-12-9(14-8)13-4-7(3-10)5-13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)azetidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 172900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).