6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C17H11N3O2S — CID 94971471

IUPAC6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1sc2nc(-c3ccccc3)cn2c1-c1ccncc1
InChIInChI=1S/C17H11N3O2S/c21-16(22)15-14(12-6-8-18-9-7-12)20-10-13(19-17(20)23-15)11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyFCJDLXMLTVAKPD-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.82
Rot. Bonds3

About 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 94971471) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID94971471
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1sc2nc(-c3ccccc3)cn2c1-c1ccncc1
InChIInChI=1S/C17H11N3O2S/c21-16(22)15-14(12-6-8-18-9-7-12)20-10-13(19-17(20)23-15)11-4-2-1-3-5-11/h1-10H,(H,21,22)
InChIKeyFCJDLXMLTVAKPD-UHFFFAOYSA-N
XLogP3.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 94971471) is 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is O=C(O)c1sc2nc(-c3ccccc3)cn2c1-c1ccncc1.
What is the InChIKey of 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is FCJDLXMLTVAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16(22)15-14(12-6-8-18-9-7-12)20-10-13(19-17(20)23-15)11-4-2-1-3-5-11/h1-10H,(H,21,22).
What are the key properties of 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 94971471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).