2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C16H18N2O4S — CID 22687524

IUPAC2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=1S/C16H18N2O4S/c19-16(20)14-11-23-15(17-14)12-2-1-3-13(10-12)22-9-6-18-4-7-21-8-5-18/h1-3,10-11H,4-9H2,(H,19,20)
InChIKeyIVDJKPBZCAOJTO-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.22
Rot. Bonds6

About 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22687524) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22687524
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(OCCN3CCOCC3)c2)n1
InChIInChI=1S/C16H18N2O4S/c19-16(20)14-11-23-15(17-14)12-2-1-3-13(10-12)22-9-6-18-4-7-21-8-5-18/h1-3,10-11H,4-9H2,(H,19,20)
InChIKeyIVDJKPBZCAOJTO-UHFFFAOYSA-N
XLogP2.22
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681192
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
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
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 90607241
ethyl 2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate
CID 56640834
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46165575
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 22687524) is 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc(OCCN3CCOCC3)c2)n1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IVDJKPBZCAOJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-16(20)14-11-23-15(17-14)12-2-1-3-13(10-12)22-9-6-18-4-7-21-8-5-18/h1-3,10-11H,4-9H2,(H,19,20).
What are the key properties of 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22687524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).