N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H17FN4S — CID 58285859

IUPACN-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C16H17FN4S/c17-12-6-4-5-11(9-12)14-10-18-16-21(14)20-15(22-16)19-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,20)
InChIKeyOKSIJKKRFUCDKF-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.34
Rot. Bonds3

About N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285859) has the molecular formula C16H17FN4S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285859
Molecular FormulaC16H17FN4S
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC NameN-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C16H17FN4S/c17-12-6-4-5-11(9-12)14-10-18-16-21(14)20-15(22-16)19-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,20)
InChIKeyOKSIJKKRFUCDKF-UHFFFAOYSA-N
XLogP4.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][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-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285859) is N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1cccc(-c2cnc3sc(NC4CCCCC4)nn23)c1.
What is the InChIKey of N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OKSIJKKRFUCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4S/c17-12-6-4-5-11(9-12)14-10-18-16-21(14)20-15(22-16)19-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,20).
What are the key properties of N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 316.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).