2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

C23H16ClN5O2S — CID 121063962

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H16ClN5O2S/c24-17-5-1-15(2-6-17)19-11-22(31)29(14-25-19)13-21(30)26-18-7-3-16(4-8-18)20-12-28-9-10-32-23(28)27-20/h1-12,14H,13H2,(H,26,30)
InChIKeyVHSFQFQUEWNSND-UHFFFAOYSA-N
MW461.93 g/mol
LogP4.58
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (PubChem CID 121063962) has the molecular formula C23H16ClN5O2S and a molecular weight of 461.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
PubChem CID121063962
Molecular FormulaC23H16ClN5O2S
Molecular Weight461.93 g/mol
Exact Mass461.07
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H16ClN5O2S/c24-17-5-1-15(2-6-17)19-11-22(31)29(14-25-19)13-21(30)26-18-7-3-16(4-8-18)20-12-28-9-10-32-23(28)27-20/h1-12,14H,13H2,(H,26,30)
InChIKeyVHSFQFQUEWNSND-UHFFFAOYSA-N
XLogP4.58
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
2-(3-chlorophenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723393
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 24524738
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051824
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 30935810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (CID 121063962) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The InChIKey is VHSFQFQUEWNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2S/c24-17-5-1-15(2-6-17)19-11-22(31)29(14-25-19)13-21(30)26-18-7-3-16(4-8-18)20-12-28-9-10-32-23(28)27-20/h1-12,14H,13H2,(H,26,30).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide has a molecular weight of 461.93 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is sourced from PubChem (CID 121063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).