N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H15F3N4S — CID 123930227

IUPACN-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1C2CNC(CNc3nnc(C(F)(F)F)s3)CC12
InChIInChI=1S/C11H15F3N4S/c1-5-7-2-6(15-4-8(5)7)3-16-10-18-17-9(19-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,16,18)
InChIKeyMZKAKRUSALIFFH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.21
Rot. Bonds3

About N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 123930227) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID123930227
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC NameN-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1C2CNC(CNc3nnc(C(F)(F)F)s3)CC12
InChIInChI=1S/C11H15F3N4S/c1-5-7-2-6(15-4-8(5)7)3-16-10-18-17-9(19-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,16,18)
InChIKeyMZKAKRUSALIFFH-UHFFFAOYSA-N
XLogP2.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 123930227) is N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1C2CNC(CNc3nnc(C(F)(F)F)s3)CC12.
What is the InChIKey of N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MZKAKRUSALIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-5-7-2-6(15-4-8(5)7)3-16-10-18-17-9(19-10)11(12,13)14/h5-8,15H,2-4H2,1H3,(H,16,18).
What are the key properties of N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 292.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123930227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).