1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C13H11BrFN3OS — CID 83234476

IUPAC1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(F)c(Br)c2)nc2sccn12
InChIInChI=1S/C13H11BrFN3OS/c1-16-7-11-12(17-13-18(11)4-5-20-13)19-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3
InChIKeyPSSBJQCSGVENEH-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.81
Rot. Bonds4

About 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 83234476) has the molecular formula C13H11BrFN3OS and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID83234476
Molecular FormulaC13H11BrFN3OS
Molecular Weight356.22 g/mol
Exact Mass354.98
IUPAC Name1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2ccc(F)c(Br)c2)nc2sccn12
InChIInChI=1S/C13H11BrFN3OS/c1-16-7-11-12(17-13-18(11)4-5-20-13)19-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3
InChIKeyPSSBJQCSGVENEH-UHFFFAOYSA-N
XLogP3.81
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 83234476) is 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Oc2ccc(F)c(Br)c2)nc2sccn12.
What is the InChIKey of 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PSSBJQCSGVENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3OS/c1-16-7-11-12(17-13-18(11)4-5-20-13)19-8-2-3-10(15)9(14)6-8/h2-6,16H,7H2,1H3.
What are the key properties of 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 356.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83234476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).