3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine

C8H12FN3S — CID 164661745

IUPAC3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(F)CC(N)C2)s1
InChIInChI=1S/C8H12FN3S/c1-5-11-12-7(13-5)4-8(9)2-6(10)3-8/h6H,2-4,10H2,1H3
InChIKeyXIJNNZVNBBHUGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.22
Rot. Bonds2

About 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine

3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 164661745) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID164661745
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(F)CC(N)C2)s1
InChIInChI=1S/C8H12FN3S/c1-5-11-12-7(13-5)4-8(9)2-6(10)3-8/h6H,2-4,10H2,1H3
InChIKeyXIJNNZVNBBHUGP-UHFFFAOYSA-N
XLogP1.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (CID 164661745) is 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is Cc1nnc(CC2(F)CC(N)C2)s1.
What is the InChIKey of 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is XIJNNZVNBBHUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c1-5-11-12-7(13-5)4-8(9)2-6(10)3-8/h6H,2-4,10H2,1H3.
What are the key properties of 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 164661745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).