9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid

C22H30N2O4S — CID 171565171

IUPAC9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H30N2O4S/c25-21(26)7-5-3-1-2-4-6-14-28-19-10-8-18(9-11-19)20-17-29-22(23-20)24-12-15-27-16-13-24/h8-11,17H,1-7,12-16H2,(H,25,26)
InChIKeyWQXPLFHAJPTNJD-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.84
Rot. Bonds12

About 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid

9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid (PubChem CID 171565171) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid.

Molecular Properties

Compound Name9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
PubChem CID171565171
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H30N2O4S/c25-21(26)7-5-3-1-2-4-6-14-28-19-10-8-18(9-11-19)20-17-29-22(23-20)24-12-15-27-16-13-24/h8-11,17H,1-7,12-16H2,(H,25,26)
InChIKeyWQXPLFHAJPTNJD-UHFFFAOYSA-N
XLogP4.84
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 162360505
2-(3-acetylphenoxy)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24573065
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-[4-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenoxy]butanamide
CID 21061304
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 17406696

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid?
The IUPAC name of 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid (CID 171565171) is 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid.
What is the SMILES notation for 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid?
The canonical SMILES for 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid is O=C(O)CCCCCCCCOc1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid?
The InChIKey is WQXPLFHAJPTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c25-21(26)7-5-3-1-2-4-6-14-28-19-10-8-18(9-11-19)20-17-29-22(23-20)24-12-15-27-16-13-24/h8-11,17H,1-7,12-16H2,(H,25,26).
What are the key properties of 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid?
9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid has a molecular weight of 418.56 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]nonanoic acid is sourced from PubChem (CID 171565171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).