2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide

C19H22FN3O3S — CID 40509451

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H22FN3O3S/c1-25-9-7-22(8-10-26-2)18(24)11-16-13-27-19-21-17(12-23(16)19)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3
InChIKeyJUNLNWPSPDAVMZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.87
Rot. Bonds9

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 40509451) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID40509451
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H22FN3O3S/c1-25-9-7-22(8-10-26-2)18(24)11-16-13-27-19-21-17(12-23(16)19)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3
InChIKeyJUNLNWPSPDAVMZ-UHFFFAOYSA-N
XLogP2.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 40509451) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is JUNLNWPSPDAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-25-9-7-22(8-10-26-2)18(24)11-16-13-27-19-21-17(12-23(16)19)14-3-5-15(20)6-4-14/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 40509451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).