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

C16H20N2O3S — CID 20988281

IUPAC2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CC)CCOc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-14-8-6-5-7-12(14)15-17-13(11-22-15)16(19)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyHVXRGIDLTHCQSL-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.23
Rot. Bonds8

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

2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 20988281) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID20988281
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CC)CCOc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-14-8-6-5-7-12(14)15-17-13(11-22-15)16(19)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyHVXRGIDLTHCQSL-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-[5-bromo-2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682712
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
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-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984485
2-(5-chloro-2-propoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20984608
2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067434
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
2-[2-[2-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988385
2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987236
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid (CID 20988281) is 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid is CCN(CC)CCOc1ccccc1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HVXRGIDLTHCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-14-8-6-5-7-12(14)15-17-13(11-22-15)16(19)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[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-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).