1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C17H18N2O4S — CID 56919195

IUPAC1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-11-24-14(18-13)10-12-4-2-1-3-5-12/h1-5,11,23H,6-10H2,(H,21,22)
InChIKeyPXIQEUOXJSKMLP-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.79
Rot. Bonds4

About 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56919195) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56919195
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-11-24-14(18-13)10-12-4-2-1-3-5-12/h1-5,11,23H,6-10H2,(H,21,22)
InChIKeyPXIQEUOXJSKMLP-UHFFFAOYSA-N
XLogP1.79
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzyl-1,3-thiazol-4-yl)-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95712781
(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695817
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
(3aS,6aR)-2-(2-benzyl-1,3-thiazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683636
(2-benzyl-1,3-thiazol-4-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 154889666
(2-benzyl-1,3-thiazol-4-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 55986034
(2-benzyl-1,3-thiazol-4-yl)-(7-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 136536280
4-(2-benzyl-1,3-thiazole-4-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509552
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 56919195) is 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1csc(Cc2ccccc2)n1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is PXIQEUOXJSKMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-15(19-8-6-17(23,7-9-19)16(21)22)13-11-24-14(18-13)10-12-4-2-1-3-5-12/h1-5,11,23H,6-10H2,(H,21,22).
What are the key properties of 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1,3-thiazole-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56919195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).