2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid

C21H22N2O4S — CID 20984124

IUPAC2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2c(OCCN3CCOCC3)ccc3ccccc23)n1
InChIInChI=1S/C21H22N2O4S/c24-19(25)13-16-14-28-21(22-16)20-17-4-2-1-3-15(17)5-6-18(20)27-12-9-23-7-10-26-11-8-23/h1-6,14H,7-13H2,(H,24,25)
InChIKeyMINOZBCRLDSXTD-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 20984124) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
PubChem CID20984124
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2c(OCCN3CCOCC3)ccc3ccccc23)n1
InChIInChI=1S/C21H22N2O4S/c24-19(25)13-16-14-28-21(22-16)20-17-4-2-1-3-15(17)5-6-18(20)27-12-9-23-7-10-26-11-8-23/h1-6,14H,7-13H2,(H,24,25)
InChIKeyMINOZBCRLDSXTD-UHFFFAOYSA-N
XLogP3.30
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
CID 22682033
2-[2-(2-phenoxyethoxy)naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
CID 22687267
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681192
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
ethyl 2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate
CID 56640834
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
CID 21127043
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
CID 91513676
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
CID 59379811
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid (CID 20984124) is 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2c(OCCN3CCOCC3)ccc3ccccc23)n1.
What is the InChIKey of 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MINOZBCRLDSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-19(25)13-16-14-28-21(22-16)20-17-4-2-1-3-15(17)5-6-18(20)27-12-9-23-7-10-26-11-8-23/h1-6,14H,7-13H2,(H,24,25).
What are the key properties of 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 398.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 20984124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).