6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H14Cl3N3OS — CID 142505481

IUPAC6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C20H14Cl3N3OS/c21-14-4-2-13(3-5-14)17-18(26-9-10-28-20(26)25-17)19(27)24-8-7-12-1-6-15(22)16(23)11-12/h1-6,9-11H,7-8H2,(H,24,27)
InChIKeyIESUMZUCTFUYNS-UHFFFAOYSA-N
MW450.78 g/mol
LogP6.00
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 142505481) has the molecular formula C20H14Cl3N3OS and a molecular weight of 450.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID142505481
Molecular FormulaC20H14Cl3N3OS
Molecular Weight450.78 g/mol
Exact Mass448.99
IUPAC Name6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C20H14Cl3N3OS/c21-14-4-2-13(3-5-14)17-18(26-9-10-28-20(26)25-17)19(27)24-8-7-12-1-6-15(22)16(23)11-12/h1-6,9-11H,7-8H2,(H,24,27)
InChIKeyIESUMZUCTFUYNS-UHFFFAOYSA-N
XLogP6.00
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.78
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 142505481) is 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IESUMZUCTFUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3OS/c21-14-4-2-13(3-5-14)17-18(26-9-10-28-20(26)25-17)19(27)24-8-7-12-1-6-15(22)16(23)11-12/h1-6,9-11H,7-8H2,(H,24,27).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 450.78 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 142505481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).