3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C18H10Cl2N2O2S — CID 82035539

IUPAC3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C18H10Cl2N2O2S/c19-12-7-6-11(8-13(12)20)14-9-25-18-21-15(10-4-2-1-3-5-10)16(17(23)24)22(14)18/h1-9H,(H,23,24)
InChIKeyKBRFYKMCUIDSLC-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.73
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035539) has the molecular formula C18H10Cl2N2O2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035539
Molecular FormulaC18H10Cl2N2O2S
Molecular Weight389.26 g/mol
Exact Mass387.98
IUPAC Name3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)nc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C18H10Cl2N2O2S/c19-12-7-6-11(8-13(12)20)14-9-25-18-21-15(10-4-2-1-3-5-10)16(17(23)24)22(14)18/h1-9H,(H,23,24)
InChIKeyKBRFYKMCUIDSLC-UHFFFAOYSA-N
XLogP5.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537
3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035378
7-hydroxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135542318
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3,6-diphenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068552
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164588860
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 165492506
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035539) is 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(-c2ccccc2)nc2scc(-c3ccc(Cl)c(Cl)c3)n12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is KBRFYKMCUIDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2S/c19-12-7-6-11(8-13(12)20)14-9-25-18-21-15(10-4-2-1-3-5-10)16(17(23)24)22(14)18/h1-9H,(H,23,24).
What are the key properties of 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 389.26 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).