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

C17H15NO4S2 — CID 8649074

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1OC
InChIInChI=1S/C17H15NO4S2/c1-20-14-4-3-11(7-15(14)21-2)17(19)22-8-13-10-24-16(18-13)12-5-6-23-9-12/h3-7,9-10H,8H2,1-2H3
InChIKeyVLJNVJWRTYFFPH-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.25
Rot. Bonds6

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

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate (PubChem CID 8649074) has the molecular formula C17H15NO4S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
PubChem CID8649074
Molecular FormulaC17H15NO4S2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1OC
InChIInChI=1S/C17H15NO4S2/c1-20-14-4-3-11(7-15(14)21-2)17(19)22-8-13-10-24-16(18-13)12-5-6-23-9-12/h3-7,9-10H,8H2,1-2H3
InChIKeyVLJNVJWRTYFFPH-UHFFFAOYSA-N
XLogP4.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866611
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate
CID 7697717
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8945238
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
CID 8849808
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylate
CID 8888083
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-fluorobenzoate
CID 7758579
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate (CID 8649074) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1OC.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate?
The InChIKey is VLJNVJWRTYFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S2/c1-20-14-4-3-11(7-15(14)21-2)17(19)22-8-13-10-24-16(18-13)12-5-6-23-9-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate has a molecular weight of 361.44 g/mol, XLogP of 4.25, 6 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 3,4-dimethoxybenzoate is sourced from PubChem (CID 8649074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).