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

C13H11F2N3OS — CID 63037655

IUPAC1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cccc(F)c2F)nc2sccn12
InChIInChI=1S/C13H11F2N3OS/c1-16-7-9-12(17-13-18(9)5-6-20-13)19-10-4-2-3-8(14)11(10)15/h2-6,16H,7H2,1H3
InChIKeyIHMRLZNSUDUGRN-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.19
Rot. Bonds4

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

1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 63037655) has the molecular formula C13H11F2N3OS and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID63037655
Molecular FormulaC13H11F2N3OS
Molecular Weight295.31 g/mol
Exact Mass295.06
IUPAC Name1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cccc(F)c2F)nc2sccn12
InChIInChI=1S/C13H11F2N3OS/c1-16-7-9-12(17-13-18(9)5-6-20-13)19-10-4-2-3-8(14)11(10)15/h2-6,16H,7H2,1H3
InChIKeyIHMRLZNSUDUGRN-UHFFFAOYSA-N
XLogP3.19
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 63037655) is 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Oc2cccc(F)c2F)nc2sccn12.
What is the InChIKey of 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IHMRLZNSUDUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3OS/c1-16-7-9-12(17-13-18(9)5-6-20-13)19-10-4-2-3-8(14)11(10)15/h2-6,16H,7H2,1H3.
What are the key properties of 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 295.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).