(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate

C20H19NO4S — CID 7416076

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19NO4S/c1-3-24-17-10-9-15(11-18(17)23-2)20(22)25-12-16-13-26-19(21-16)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3
InChIKeyCXZXDLFDLBSVMK-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.57
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate

(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate (PubChem CID 7416076) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
PubChem CID7416076
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19NO4S/c1-3-24-17-10-9-15(11-18(17)23-2)20(22)25-12-16-13-26-19(21-16)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3
InChIKeyCXZXDLFDLBSVMK-UHFFFAOYSA-N
XLogP4.57
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate 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-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
CID 7785817
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253477
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate
CID 7697717
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
(2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666399
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
CID 4800176
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethylsulfonyl)benzoate
CID 16513311
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-nitrobenzoate
CID 9390927
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate (CID 7416076) is (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
The InChIKey is CXZXDLFDLBSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-24-17-10-9-15(11-18(17)23-2)20(22)25-12-16-13-26-19(21-16)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate has a molecular weight of 369.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7416076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).