4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

C10H13N3O3S — CID 90157530

IUPAC4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(/C=N/O)cs2)CC1
InChIInChI=1S/C10H13N3O3S/c14-10(15)13-3-1-7(2-4-13)9-12-8(5-11-16)6-17-9/h5-7,16H,1-4H2,(H,14,15)/b11-5+
InChIKeyKSJRPDABXVIRNO-VZUCSPMQSA-N
MW255.30 g/mol
LogP1.81
Rot. Bonds2

About 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 90157530) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID90157530
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(/C=N/O)cs2)CC1
InChIInChI=1S/C10H13N3O3S/c14-10(15)13-3-1-7(2-4-13)9-12-8(5-11-16)6-17-9/h5-7,16H,1-4H2,(H,14,15)/b11-5+
InChIKeyKSJRPDABXVIRNO-VZUCSPMQSA-N
XLogP1.81
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 122420974
1-[4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 86631243
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
methyl 4-[4-(4-formyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 142983150
2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
CID 154065618
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 135363861
[4-[4-(2,2-dibromoethenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174733711
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
4-[4-[[4-(trifluoromethylsulfinyl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 150731055
(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124607235

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 90157530) is 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nc(/C=N/O)cs2)CC1.
What is the InChIKey of 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is KSJRPDABXVIRNO-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-10(15)13-3-1-7(2-4-13)9-12-8(5-11-16)6-17-9/h5-7,16H,1-4H2,(H,14,15)/b11-5+.
What are the key properties of 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90157530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).