methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate

C18H15NO4S2 — CID 18273893

IUPACmethyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H15NO4S2/c1-22-16(20)8-12-2-4-15(5-3-12)23-17(21)9-14-11-25-18(19-14)13-6-7-24-10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyPTXZPKCNEQLEKL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.74
Rot. Bonds6

About methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate

methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate (PubChem CID 18273893) has the molecular formula C18H15NO4S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
PubChem CID18273893
Molecular FormulaC18H15NO4S2
Molecular Weight373.46 g/mol
Exact Mass373.04
IUPAC Namemethyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C18H15NO4S2/c1-22-16(20)8-12-2-4-15(5-3-12)23-17(21)9-14-11-25-18(19-14)13-6-7-24-10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyPTXZPKCNEQLEKL-UHFFFAOYSA-N
XLogP3.74
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorobenzoyl)phenyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 46611736
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129846
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
(4-ethylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 26881766
methyl 2-[methyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 60673153
N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 18283839
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130807
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate (CID 18273893) is methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate is COC(=O)Cc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate?
The InChIKey is PTXZPKCNEQLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S2/c1-22-16(20)8-12-2-4-15(5-3-12)23-17(21)9-14-11-25-18(19-14)13-6-7-24-10-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate?
methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate has a molecular weight of 373.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyphenyl]acetate is sourced from PubChem (CID 18273893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).