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

C8H11F2N3S — CID 130892403

IUPAC1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-4(11)6-12-13-7(14-6)5-2-8(9,10)3-5/h4-5H,2-3,11H2,1H3
InChIKeyCBLVPOXIYIWKTJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.07
Rot. Bonds2

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

1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 130892403) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID130892403
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-4(11)6-12-13-7(14-6)5-2-8(9,10)3-5/h4-5H,2-3,11H2,1H3
InChIKeyCBLVPOXIYIWKTJ-UHFFFAOYSA-N
XLogP2.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65714251
1-[5-(3,3,3-Trifluoropropyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65714449
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65725613
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65726614
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726874
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934289
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934290
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934398
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81934420
1-[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103311210
1-[5-(1,1,2,2,2-Pentafluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104633020
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104633021

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 130892403) is 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(N)c1nnc(C2CC(F)(F)C2)s1.
What is the InChIKey of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is CBLVPOXIYIWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-4(11)6-12-13-7(14-6)5-2-8(9,10)3-5/h4-5H,2-3,11H2,1H3.
What are the key properties of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 130892403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).