2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid

C16H20N2O3S — CID 22686120

IUPAC2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CC)CCOc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)8-9-21-13-7-5-6-12(10-13)15-17-14(11-22-15)16(19)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIACCUWVMQPITAO-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.23
Rot. Bonds8

About 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid

2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22686120) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22686120
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CC)CCOc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)8-9-21-13-7-5-6-12(10-13)15-17-14(11-22-15)16(19)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIACCUWVMQPITAO-UHFFFAOYSA-N
XLogP3.23
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 22680767
2-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682580
2-[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686982
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
2-[5-bromo-2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682712
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160138
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid (CID 22686120) is 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid is CCN(CC)CCOc1cccc(-c2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IACCUWVMQPITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-18(4-2)8-9-21-13-7-5-6-12(10-13)15-17-14(11-22-15)16(19)20/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22686120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).