2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C11H15F2N3OS — CID 103081246

IUPAC2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2sccn2c1CNCCOCC(F)F
InChIInChI=1S/C11H15F2N3OS/c1-8-9(16-3-5-18-11(16)15-8)6-14-2-4-17-7-10(12)13/h3,5,10,14H,2,4,6-7H2,1H3
InChIKeySPPOGRVBAXDFBL-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.08
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 103081246) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID103081246
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2sccn2c1CNCCOCC(F)F
InChIInChI=1S/C11H15F2N3OS/c1-8-9(16-3-5-18-11(16)15-8)6-14-2-4-17-7-10(12)13/h3,5,10,14H,2,4,6-7H2,1H3
InChIKeySPPOGRVBAXDFBL-UHFFFAOYSA-N
XLogP2.08
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 103081246) is 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1nc2sccn2c1CNCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is SPPOGRVBAXDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-8-9(16-3-5-18-11(16)15-8)6-14-2-4-17-7-10(12)13/h3,5,10,14H,2,4,6-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103081246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).