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

C7H9F2N3S — CID 122270082

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(C(F)F)C2)s1
InChIInChI=1S/C7H9F2N3S/c1-4-10-11-7(13-4)12-2-5(3-12)6(8)9/h5-6H,2-3H2,1H3
InChIKeyJUOPGYWSTWWVRJ-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.55
Rot. Bonds2

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

2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 122270082) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID122270082
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(C(F)F)C2)s1
InChIInChI=1S/C7H9F2N3S/c1-4-10-11-7(13-4)12-2-5(3-12)6(8)9/h5-6H,2-3H2,1H3
InChIKeyJUOPGYWSTWWVRJ-UHFFFAOYSA-N
XLogP1.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 122270082) is 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CC(C(F)F)C2)s1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is JUOPGYWSTWWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c1-4-10-11-7(13-4)12-2-5(3-12)6(8)9/h5-6H,2-3H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 205.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 122270082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).