2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine

C8H11F2N3S — CID 130815666

IUPAC2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7-13-12-6(14-7)1-2-11/h5H,1-4,11H2
InChIKeyKDRVPTZOXUMJFU-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.55
Rot. Bonds3

About 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 130815666) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID130815666
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7-13-12-6(14-7)1-2-11/h5H,1-4,11H2
InChIKeyKDRVPTZOXUMJFU-UHFFFAOYSA-N
XLogP1.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65714250
2-[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65714448
2-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934344
3-[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103311208
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
CID 130563645
1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 130847633
1-[5-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130892403
3-Fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
CID 164661745
2-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-N-methylethanamine
CID 65716440
(5-Cyclobutyl-1,3,4-thiadiazol-2-yl)methanamine
CID 65725743
2-[5-(2-Methylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65726643
2-[5-(Cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65726856

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 130815666) is 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine is NCCc1nnc(C2CC(F)(F)C2)s1.
What is the InChIKey of 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is KDRVPTZOXUMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7-13-12-6(14-7)1-2-11/h5H,1-4,11H2.
What are the key properties of 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 130815666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).