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

C7H10FN3S — CID 121184977

IUPAC2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(CF)C2)s1
InChIInChI=1S/C7H10FN3S/c1-5-9-10-7(12-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3
InChIKeyNYNCLWNHECRNHL-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds2

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

2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 121184977) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID121184977
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(CF)C2)s1
InChIInChI=1S/C7H10FN3S/c1-5-9-10-7(12-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3
InChIKeyNYNCLWNHECRNHL-UHFFFAOYSA-N
XLogP1.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 121184977) is 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CC(CF)C2)s1.
What is the InChIKey of 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is NYNCLWNHECRNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-5-9-10-7(12-5)11-3-6(2-8)4-11/h6H,2-4H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(fluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 187.24 g/mol, XLogP of 1.25, 2 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-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 121184977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).