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

C11H9FN4S — CID 67335635

IUPACN-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(CNc2nn3ccnc3s2)cc1
InChIInChI=1S/C11H9FN4S/c12-9-3-1-8(2-4-9)7-14-10-15-16-6-5-13-11(16)17-10/h1-6H,7H2,(H,14,15)
InChIKeyWKTUYYCWVFVSRA-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.54
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67335635) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67335635
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC NameN-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(CNc2nn3ccnc3s2)cc1
InChIInChI=1S/C11H9FN4S/c12-9-3-1-8(2-4-9)7-14-10-15-16-6-5-13-11(16)17-10/h1-6H,7H2,(H,14,15)
InChIKeyWKTUYYCWVFVSRA-UHFFFAOYSA-N
XLogP2.54
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67335635) is N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(CNc2nn3ccnc3s2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WKTUYYCWVFVSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c12-9-3-1-8(2-4-9)7-14-10-15-16-6-5-13-11(16)17-10/h1-6H,7H2,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 248.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67335635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).