[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone

C16H14FN3O2S — CID 42269945

IUPAC[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCOCC1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-11(2-4-12)13-9-20-14(10-23-16(20)18-13)15(21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
InChIKeyCNOCGCSHLPEXKD-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.67
Rot. Bonds2

About [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone

[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 42269945) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone
PubChem CID42269945
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCOCC1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-11(2-4-12)13-9-20-14(10-23-16(20)18-13)15(21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
InChIKeyCNOCGCSHLPEXKD-UHFFFAOYSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3241564
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CID 3242214
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CID 3243898
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CID 3244237
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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone (CID 42269945) is [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone is O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCOCC1.
What is the InChIKey of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CNOCGCSHLPEXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-3-1-11(2-4-12)13-9-20-14(10-23-16(20)18-13)15(21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2.
What are the key properties of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone?
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 331.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42269945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).