[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate

C16H19NO4S — CID 175274809

IUPAC[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
SMILESCCOc1ccc(-c2nc(OC(=O)CC)cs2)cc1OCC
InChIInChI=1S/C16H19NO4S/c1-4-15(18)21-14-10-22-16(17-14)11-7-8-12(19-5-2)13(9-11)20-6-3/h7-10H,4-6H2,1-3H3
InChIKeyQSTUMZUDEDGPDE-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.92
Rot. Bonds7

About [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate

[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate (PubChem CID 175274809) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
PubChem CID175274809
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
SMILESCCOc1ccc(-c2nc(OC(=O)CC)cs2)cc1OCC
InChIInChI=1S/C16H19NO4S/c1-4-15(18)21-14-10-22-16(17-14)11-7-8-12(19-5-2)13(9-11)20-6-3/h7-10H,4-6H2,1-3H3
InChIKeyQSTUMZUDEDGPDE-UHFFFAOYSA-N
XLogP3.92
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 22680767
2-[[4-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoyl]amino]acetic acid
CID 19041001
methyl 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-3-carboxylate
CID 123132950
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
1-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-(3-ethoxy-2-pyridinyl)prop-2-en-1-one
CID 68709034
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate (CID 175274809) is [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate is CCOc1ccc(-c2nc(OC(=O)CC)cs2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate?
The InChIKey is QSTUMZUDEDGPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-15(18)21-14-10-22-16(17-14)11-7-8-12(19-5-2)13(9-11)20-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate?
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate has a molecular weight of 321.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 175274809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).