(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C21H19NO5S — CID 8731714

IUPAC(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2OCc2csc(C)n2)cc1
InChIInChI=1S/C21H19NO5S/c1-14-22-17(13-28-14)12-26-19-6-4-3-5-18(19)21(24)27-11-15-7-9-16(10-8-15)20(23)25-2/h3-10,13H,11-12H2,1-2H3
InChIKeyZOBPQTYLQRJNDC-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.17
Rot. Bonds7

About (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 8731714) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID8731714
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2OCc2csc(C)n2)cc1
InChIInChI=1S/C21H19NO5S/c1-14-22-17(13-28-14)12-26-19-6-4-3-5-18(19)21(24)27-11-15-7-9-16(10-8-15)20(23)25-2/h3-10,13H,11-12H2,1-2H3
InChIKeyZOBPQTYLQRJNDC-UHFFFAOYSA-N
XLogP4.17
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731957
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731788
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732023
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732248
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731970
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731896
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 8731714) is (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is COC(=O)c1ccc(COC(=O)c2ccccc2OCc2csc(C)n2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is ZOBPQTYLQRJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-14-22-17(13-28-14)12-26-19-6-4-3-5-18(19)21(24)27-11-15-7-9-16(10-8-15)20(23)25-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 397.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 8731714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).