4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

C19H22N2O5S — CID 119251703

IUPAC4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C(=O)N3CCC(O)(C(=O)O)CC3)cs2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-11-26-14-5-3-13(4-6-14)16-20-15(12-27-16)17(22)21-9-7-19(25,8-10-21)18(23)24/h3-6,12,25H,2,7-11H2,1H3,(H,23,24)
InChIKeyPIDAJIFTJWOESM-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.65
Rot. Bonds6

About 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119251703) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID119251703
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(-c2nc(C(=O)N3CCC(O)(C(=O)O)CC3)cs2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-11-26-14-5-3-13(4-6-14)16-20-15(12-27-16)17(22)21-9-7-19(25,8-10-21)18(23)24/h3-6,12,25H,2,7-11H2,1H3,(H,23,24)
InChIKeyPIDAJIFTJWOESM-UHFFFAOYSA-N
XLogP2.65
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259249
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119646207
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46067944
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
CID 119251411
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (CID 119251703) is 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is CCCOc1ccc(-c2nc(C(=O)N3CCC(O)(C(=O)O)CC3)cs2)cc1.
What is the InChIKey of 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is PIDAJIFTJWOESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-11-26-14-5-3-13(4-6-14)16-20-15(12-27-16)17(22)21-9-7-19(25,8-10-21)18(23)24/h3-6,12,25H,2,7-11H2,1H3,(H,23,24).
What are the key properties of 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 390.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).