(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate

C20H19NO4S — CID 4857964

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OC)c1C
InChIInChI=1S/C20H19NO4S/c1-13-17(23-2)9-15(10-18(13)24-3)20(22)25-11-16-12-26-19(21-16)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyAUJAHVQEUMJIIV-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.49
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate

(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate (PubChem CID 4857964) 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 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
PubChem CID4857964
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OC)c1C
InChIInChI=1S/C20H19NO4S/c1-13-17(23-2)9-15(10-18(13)24-3)20(22)25-11-16-12-26-19(21-16)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyAUJAHVQEUMJIIV-UHFFFAOYSA-N
XLogP4.49
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate
CID 7697717
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
(2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-4-nitrobenzoate
CID 8629207
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate (CID 4857964) is (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OC)c1C.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The InChIKey is AUJAHVQEUMJIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13-17(23-2)9-15(10-18(13)24-3)20(22)25-11-16-12-26-19(21-16)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 369.44 g/mol, XLogP of 4.49, 6 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 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 4857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).