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

C15H12Cl2N2O2S — CID 82035531

IUPAC6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(Cl)c(Cl)c3)cn12
InChIInChI=1S/C15H12Cl2N2O2S/c1-2-3-12-13(14(20)21)22-15-18-11(7-19(12)15)8-4-5-9(16)10(17)6-8/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyKFYFQEVNKARPOX-UHFFFAOYSA-N
MW355.25 g/mol
LogP5.02
Rot. Bonds4

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

6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035531) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035531
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(Cl)c(Cl)c3)cn12
InChIInChI=1S/C15H12Cl2N2O2S/c1-2-3-12-13(14(20)21)22-15-18-11(7-19(12)15)8-4-5-9(16)10(17)6-8/h4-7H,2-3H2,1H3,(H,20,21)
InChIKeyKFYFQEVNKARPOX-UHFFFAOYSA-N
XLogP5.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.25
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035531) is 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3ccc(Cl)c(Cl)c3)cn12.
What is the InChIKey of 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is KFYFQEVNKARPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-2-3-12-13(14(20)21)22-15-18-11(7-19(12)15)8-4-5-9(16)10(17)6-8/h4-7H,2-3H2,1H3,(H,20,21).
What are the key properties of 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 355.25 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).