[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone

C21H25FN4O2S — CID 53041090

IUPAC[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone
SMILESCOCCNc1c(-c2cccc(F)c2)nc2sc(C(=O)N3CCCCC3)c(C)n12
InChIInChI=1S/C21H25FN4O2S/c1-14-18(20(27)25-10-4-3-5-11-25)29-21-24-17(15-7-6-8-16(22)13-15)19(26(14)21)23-9-12-28-2/h6-8,13,23H,3-5,9-12H2,1-2H3
InChIKeyLCQLMEKYQARXOY-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.19
Rot. Bonds6

About [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone

[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 53041090) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone
PubChem CID53041090
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone
SMILESCOCCNc1c(-c2cccc(F)c2)nc2sc(C(=O)N3CCCCC3)c(C)n12
InChIInChI=1S/C21H25FN4O2S/c1-14-18(20(27)25-10-4-3-5-11-25)29-21-24-17(15-7-6-8-16(22)13-15)19(26(14)21)23-9-12-28-2/h6-8,13,23H,3-5,9-12H2,1-2H3
InChIKeyLCQLMEKYQARXOY-UHFFFAOYSA-N
XLogP4.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone (CID 53041090) is [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone is COCCNc1c(-c2cccc(F)c2)nc2sc(C(=O)N3CCCCC3)c(C)n12.
What is the InChIKey of [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LCQLMEKYQARXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-14-18(20(27)25-10-4-3-5-11-25)29-21-24-17(15-7-6-8-16(22)13-15)19(26(14)21)23-9-12-28-2/h6-8,13,23H,3-5,9-12H2,1-2H3.
What are the key properties of [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone?
[6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 416.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-5-(2-methoxyethylamino)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53041090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).