ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

C20H24ClN5O4S — CID 141174565

IUPACethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1csc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H24ClN5O4S/c1-3-30-19(28)18(24-29-2)16-13-31-20(22-16)23-17(27)12-25-7-9-26(10-8-25)15-6-4-5-14(21)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,22,23,27)/b24-18-
InChIKeyICPBKLVBQOXKKL-MOHJPFBDSA-N
MW465.96 g/mol
LogP2.47
Rot. Bonds8

About ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 141174565) has the molecular formula C20H24ClN5O4S and a molecular weight of 465.96 g/mol. Its IUPAC name is ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID141174565
Molecular FormulaC20H24ClN5O4S
Molecular Weight465.96 g/mol
Exact Mass465.12
IUPAC Nameethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1csc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H24ClN5O4S/c1-3-30-19(28)18(24-29-2)16-13-31-20(22-16)23-17(27)12-25-7-9-26(10-8-25)15-6-4-5-14(21)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,22,23,27)/b24-18-
InChIKeyICPBKLVBQOXKKL-MOHJPFBDSA-N
XLogP2.47
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1443705
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530322
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199136
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198434

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 141174565) is ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1csc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is ICPBKLVBQOXKKL-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H24ClN5O4S/c1-3-30-19(28)18(24-29-2)16-13-31-20(22-16)23-17(27)12-25-7-9-26(10-8-25)15-6-4-5-14(21)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,22,23,27)/b24-18-.
What are the key properties of ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate has a molecular weight of 465.96 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 141174565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).