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

C18H24N2O4S — CID 22680767

IUPAC2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCCN(CC)CC
InChIInChI=1S/C18H24N2O4S/c1-4-20(5-2)9-10-24-15-8-7-13(11-16(15)23-6-3)17-19-14(12-25-17)18(21)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeyALTXARDUCRXASF-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.63
Rot. Bonds10

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

2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22680767) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22680767
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCCN(CC)CC
InChIInChI=1S/C18H24N2O4S/c1-4-20(5-2)9-10-24-15-8-7-13(11-16(15)23-6-3)17-19-14(12-25-17)18(21)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22)
InChIKeyALTXARDUCRXASF-UHFFFAOYSA-N
XLogP3.63
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[5-bromo-2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682712
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20994190
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
2-[4-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20991099
2-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22687303
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
CID 175274809

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid (CID 22680767) is 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid is CCOc1cc(-c2nc(C(=O)O)cs2)ccc1OCCN(CC)CC.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ALTXARDUCRXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-20(5-2)9-10-24-15-8-7-13(11-16(15)23-6-3)17-19-14(12-25-17)18(21)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 364.47 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).