1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid

C20H19N3O5S — CID 135678426

IUPAC1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C20H19N3O5S/c24-17(22-8-4-3-7-15(22)19(26)27)11-23-18(25)16(29-20(23)28)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,9-10,15,25H,3-4,7-8,11H2,(H,26,27)/b12-9+
InChIKeyVCPSWBRYDQMAMR-FMIVXFBMSA-N
MW413.46 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid

1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid (PubChem CID 135678426) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid
PubChem CID135678426
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C20H19N3O5S/c24-17(22-8-4-3-7-15(22)19(26)27)11-23-18(25)16(29-20(23)28)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,9-10,15,25H,3-4,7-8,11H2,(H,26,27)/b12-9+
InChIKeyVCPSWBRYDQMAMR-FMIVXFBMSA-N
XLogP2.34
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]propanoyl]piperidine-2-carboxylic acid
CID 4870383
1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
CID 4900555
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide
CID 137263304
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
6-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
CID 135460372
3-cyclohexyl-2-(2-fluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135533589
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
CID 137117414
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 2873277

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid (CID 135678426) is 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O.
What is the InChIKey of 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid?
The InChIKey is VCPSWBRYDQMAMR-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-17(22-8-4-3-7-15(22)19(26)27)11-23-18(25)16(29-20(23)28)9-12-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,9-10,15,25H,3-4,7-8,11H2,(H,26,27)/b12-9+.
What are the key properties of 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid?
1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid has a molecular weight of 413.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 135678426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).