N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H13FN4S — CID 35417169

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C13H13FN4S/c1-9-8-18-13(16-9)19-12(17-18)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyDCURSXRGFGPOJP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 35417169) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID35417169
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCCc3ccc(F)cc3)sc2n1
InChIInChI=1S/C13H13FN4S/c1-9-8-18-13(16-9)19-12(17-18)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyDCURSXRGFGPOJP-UHFFFAOYSA-N
XLogP2.89
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 35417169) is N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCCc3ccc(F)cc3)sc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DCURSXRGFGPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-9-8-18-13(16-9)19-12(17-18)15-7-6-10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 35417169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).