2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C16H17ClN2O4S — CID 22681192

IUPAC2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(Cl)ccc2OCCN2CCOCC2)n1
InChIInChI=1S/C16H17ClN2O4S/c17-11-1-2-14(23-8-5-19-3-6-22-7-4-19)12(9-11)15-18-13(10-24-15)16(20)21/h1-2,9-10H,3-8H2,(H,20,21)
InChIKeyPRBILCXNPSUOMI-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.87
Rot. Bonds6

About 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22681192) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22681192
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cc(Cl)ccc2OCCN2CCOCC2)n1
InChIInChI=1S/C16H17ClN2O4S/c17-11-1-2-14(23-8-5-19-3-6-22-7-4-19)12(9-11)15-18-13(10-24-15)16(20)21/h1-2,9-10H,3-8H2,(H,20,21)
InChIKeyPRBILCXNPSUOMI-UHFFFAOYSA-N
XLogP2.87
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-propoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20984608
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990784
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160160
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
CID 173253218
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
2-acetamido-N-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 92550749
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278992

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 22681192) is 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cc(Cl)ccc2OCCN2CCOCC2)n1.
What is the InChIKey of 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PRBILCXNPSUOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-11-1-2-14(23-8-5-19-3-6-22-7-4-19)12(9-11)15-18-13(10-24-15)16(20)21/h1-2,9-10H,3-8H2,(H,20,21).
What are the key properties of 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 368.84 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).