(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

C19H19NO4S2 — CID 8849808

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2csc(-c3ccsc3)n2)cc1OC
InChIInChI=1S/C19H19NO4S2/c1-22-16-5-3-13(9-17(16)23-2)4-6-18(21)24-10-15-12-26-19(20-15)14-7-8-25-11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyIGNGLHVKKFPJPY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.56
Rot. Bonds8

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 8849808) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID8849808
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2csc(-c3ccsc3)n2)cc1OC
InChIInChI=1S/C19H19NO4S2/c1-22-16-5-3-13(9-17(16)23-2)4-6-18(21)24-10-15-12-26-19(20-15)14-7-8-25-11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyIGNGLHVKKFPJPY-UHFFFAOYSA-N
XLogP4.56
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate 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-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776265
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
CID 7871098
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 6-(carbamoylamino)hexanoate
CID 8863101
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626982
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8941213
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866611
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130660

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate (CID 8849808) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2csc(-c3ccsc3)n2)cc1OC.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is IGNGLHVKKFPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-22-16-5-3-13(9-17(16)23-2)4-6-18(21)24-10-15-12-26-19(20-15)14-7-8-25-11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 389.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 8849808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).