N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H12F3N3S — CID 114448787

IUPACN-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H12F3N3S/c1-5(6-3-2-4-6)13-8-15-14-7(16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyJLLATUXWYMXDHC-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.16
Rot. Bonds3

About N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448787) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448787
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H12F3N3S/c1-5(6-3-2-4-6)13-8-15-14-7(16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyJLLATUXWYMXDHC-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448787) is N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C(F)(F)F)s1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JLLATUXWYMXDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-5(6-3-2-4-6)13-8-15-14-7(16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).