N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H16F3N3OS — CID 138046017

IUPACN-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)OC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3OS/c1-10(2,3)18-7-4-6(5-7)15-9-17-16-8(19-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyCNJKIOVSYGECIV-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.31
Rot. Bonds3

About N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 138046017) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID138046017
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)OC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3OS/c1-10(2,3)18-7-4-6(5-7)15-9-17-16-8(19-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyCNJKIOVSYGECIV-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 138046017) is N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)OC1CC(Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CNJKIOVSYGECIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-10(2,3)18-7-4-6(5-7)15-9-17-16-8(19-9)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 138046017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).