4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide

C18H12ClN3OS — CID 44530953

IUPAC4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2csc3nccn23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3OS/c19-14-5-1-13(2-6-14)17(23)21-15-7-3-12(4-8-15)16-11-24-18-20-9-10-22(16)18/h1-11H,(H,21,23)
InChIKeyZZXQTTHFIOIQBB-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.97
Rot. Bonds3

About 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide

4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide (PubChem CID 44530953) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide
PubChem CID44530953
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2csc3nccn23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN3OS/c19-14-5-1-13(2-6-14)17(23)21-15-7-3-12(4-8-15)16-11-24-18-20-9-10-22(16)18/h1-11H,(H,21,23)
InChIKeyZZXQTTHFIOIQBB-UHFFFAOYSA-N
XLogP4.97
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide (CID 44530953) is 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide is O=C(Nc1ccc(-c2csc3nccn23)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide?
The InChIKey is ZZXQTTHFIOIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-14-5-1-13(2-6-14)17(23)21-15-7-3-12(4-8-15)16-11-24-18-20-9-10-22(16)18/h1-11H,(H,21,23).
What are the key properties of 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide?
4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide has a molecular weight of 353.83 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide is sourced from PubChem (CID 44530953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).