N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine

C11H16FN3OS — CID 126857898

IUPACN-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C2CCC2)C2COCC2F)n1
InChIInChI=1S/C11H16FN3OS/c1-7-13-11(17-14-7)15(8-3-2-4-8)10-6-16-5-9(10)12/h8-10H,2-6H2,1H3
InChIKeyHDHVWHKYIHFGDY-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.94
Rot. Bonds3

About N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine

N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 126857898) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID126857898
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC NameN-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C2CCC2)C2COCC2F)n1
InChIInChI=1S/C11H16FN3OS/c1-7-13-11(17-14-7)15(8-3-2-4-8)10-6-16-5-9(10)12/h8-10H,2-6H2,1H3
InChIKeyHDHVWHKYIHFGDY-UHFFFAOYSA-N
XLogP1.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-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-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 126857898) is N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C2CCC2)C2COCC2F)n1.
What is the InChIKey of N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HDHVWHKYIHFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3OS/c1-7-13-11(17-14-7)15(8-3-2-4-8)10-6-16-5-9(10)12/h8-10H,2-6H2,1H3.
What are the key properties of N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 257.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126857898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).