2-(1,3-thiazol-2-yloxyimino)acetyl chloride

C5H3ClN2O2S — CID 54411805

IUPAC2-(1,3-thiazol-2-yloxyimino)acetyl chloride
SMILESO=C(Cl)C=NOc1nccs1
InChIInChI=1S/C5H3ClN2O2S/c6-4(9)3-8-10-5-7-1-2-11-5/h1-3H
InChIKeyVUQPZBLZTMOAGO-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.27
Rot. Bonds3

About 2-(1,3-thiazol-2-yloxyimino)acetyl chloride

2-(1,3-thiazol-2-yloxyimino)acetyl chloride (PubChem CID 54411805) has the molecular formula C5H3ClN2O2S and a molecular weight of 190.61 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yloxyimino)acetyl chloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yloxyimino)acetyl chloride
PubChem CID54411805
Molecular FormulaC5H3ClN2O2S
Molecular Weight190.61 g/mol
Exact Mass189.96
IUPAC Name2-(1,3-thiazol-2-yloxyimino)acetyl chloride
SMILESO=C(Cl)C=NOc1nccs1
InChIInChI=1S/C5H3ClN2O2S/c6-4(9)3-8-10-5-7-1-2-11-5/h1-3H
InChIKeyVUQPZBLZTMOAGO-UHFFFAOYSA-N
XLogP1.27
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-thiazol-2-yloxy)ethanimine
CID 174234216
5-O-amino 1-O-(1,3-thiazol-2-yl) pentanedioate
CID 70426557
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
oxo-bis(1,3-thiazol-2-yloxy)phosphanium
CID 67372593
1,3-thiazol-2-amine;urea
CID 87216573
1,3-thiazol-2-yl N-ethyl-N-methylcarbamate
CID 174620445
1,3-thiazol-2-yl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175542389
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
CID 178117150
acetic acid;2-chloro-1,3-thiazole
CID 162318413

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yloxyimino)acetyl chloride?
The IUPAC name of 2-(1,3-thiazol-2-yloxyimino)acetyl chloride (CID 54411805) is 2-(1,3-thiazol-2-yloxyimino)acetyl chloride.
What is the SMILES notation for 2-(1,3-thiazol-2-yloxyimino)acetyl chloride?
The canonical SMILES for 2-(1,3-thiazol-2-yloxyimino)acetyl chloride is O=C(Cl)C=NOc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yloxyimino)acetyl chloride?
The InChIKey is VUQPZBLZTMOAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2S/c6-4(9)3-8-10-5-7-1-2-11-5/h1-3H.
What are the key properties of 2-(1,3-thiazol-2-yloxyimino)acetyl chloride?
2-(1,3-thiazol-2-yloxyimino)acetyl chloride has a molecular weight of 190.61 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yloxyimino)acetyl chloride is sourced from PubChem (CID 54411805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).