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

C8H11F2N3S — CID 130847633

IUPAC1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-11-4-6-12-13-7(14-6)5-2-8(9,10)3-5/h5,11H,2-4H2,1H3
InChIKeyDDFHDABQUJNUFE-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.77
Rot. Bonds3

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

1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 130847633) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID130847633
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-11-4-6-12-13-7(14-6)5-2-8(9,10)3-5/h5,11H,2-4H2,1H3
InChIKeyDDFHDABQUJNUFE-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65703877
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65704583
N-methyl-1-[5-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65715051
N-[[5-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 65715052
2-methyl-N-[[5-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65715258
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 81934238
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 81934239
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 103311216
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103311217
1-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 130624596
2-[5-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130815666
1-[5-(3,3-Difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130892403

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 130847633) is 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C2CC(F)(F)C2)s1.
What is the InChIKey of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is DDFHDABQUJNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-11-4-6-12-13-7(14-6)5-2-8(9,10)3-5/h5,11H,2-4H2,1H3.
What are the key properties of 1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(3,3-difluorocyclobutyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 1.77, 3 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]-N-methylmethanamine is sourced from PubChem (CID 130847633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).