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

C10H14F3N3OS — CID 104924701

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC1CC(Nc2nnc(C(F)(F)F)s2)C1(C)C
InChIInChI=1S/C10H14F3N3OS/c1-9(2)5(4-6(9)17-3)14-8-16-15-7(18-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyBOPIHBKWYCSKHJ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.78
Rot. Bonds3

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

N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924701) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924701
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC1CC(Nc2nnc(C(F)(F)F)s2)C1(C)C
InChIInChI=1S/C10H14F3N3OS/c1-9(2)5(4-6(9)17-3)14-8-16-15-7(18-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyBOPIHBKWYCSKHJ-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924701) is N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is COC1CC(Nc2nnc(C(F)(F)F)s2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BOPIHBKWYCSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-9(2)5(4-6(9)17-3)14-8-16-15-7(18-8)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).