6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H11FN4O2S — CID 42518130

IUPAC6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C16H11FN4O2S/c17-11-3-1-2-10(6-11)13-8-21-14(9-24-16(21)19-13)15(22)18-7-12-4-5-23-20-12/h1-6,8-9H,7H2,(H,18,22)
InChIKeyFMXVKXXOOWLTFM-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.12
Rot. Bonds4

About 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42518130) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42518130
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC Name6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ccon1)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C16H11FN4O2S/c17-11-3-1-2-10(6-11)13-8-21-14(9-24-16(21)19-13)15(22)18-7-12-4-5-23-20-12/h1-6,8-9H,7H2,(H,18,22)
InChIKeyFMXVKXXOOWLTFM-UHFFFAOYSA-N
XLogP3.12
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42518130) is 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCc1ccon1)c1csc2nc(-c3cccc(F)c3)cn12.
What is the InChIKey of 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FMXVKXXOOWLTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c17-11-3-1-2-10(6-11)13-8-21-14(9-24-16(21)19-13)15(22)18-7-12-4-5-23-20-12/h1-6,8-9H,7H2,(H,18,22).
What are the key properties of 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42518130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).