2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

C24H27ClN4OS — CID 36565957

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c(C)c2)CC1
InChIInChI=1S/C24H27ClN4OS/c1-3-28-10-12-29(13-11-28)19-8-9-22(17(2)14-19)27-23(30)15-18-16-31-24(26-18)20-6-4-5-7-21(20)25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,27,30)
InChIKeyVWQAGYGHUHXHFA-UHFFFAOYSA-N
MW455.03 g/mol
LogP5.10
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (PubChem CID 36565957) has the molecular formula C24H27ClN4OS and a molecular weight of 455.03 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
PubChem CID36565957
Molecular FormulaC24H27ClN4OS
Molecular Weight455.03 g/mol
Exact Mass454.16
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c(C)c2)CC1
InChIInChI=1S/C24H27ClN4OS/c1-3-28-10-12-29(13-11-28)19-8-9-22(17(2)14-19)27-23(30)15-18-16-31-24(26-18)20-6-4-5-7-21(20)25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,27,30)
InChIKeyVWQAGYGHUHXHFA-UHFFFAOYSA-N
XLogP5.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.03
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 162727955
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515562
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32761024
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 112805880
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (CID 36565957) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is CCN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)c(C)c2)CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The InChIKey is VWQAGYGHUHXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4OS/c1-3-28-10-12-29(13-11-28)19-8-9-22(17(2)14-19)27-23(30)15-18-16-31-24(26-18)20-6-4-5-7-21(20)25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide has a molecular weight of 455.03 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 36565957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).