4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one

C11H7ClN2O2S — CID 23271519

IUPAC4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(Cl)c1/C=N\O
InChIInChI=1S/C11H7ClN2O2S/c12-9-8(6-13-16)11(15)17-10(14-9)7-4-2-1-3-5-7/h1-6,16H/b13-6-
InChIKeyXFMQMLYNRPOVFK-MLPAPPSSSA-N
MW266.71 g/mol
LogP2.63
Rot. Bonds2

About 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one

4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one (PubChem CID 23271519) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one.

Molecular Properties

Compound Name4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one
PubChem CID23271519
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(Cl)c1/C=N\O
InChIInChI=1S/C11H7ClN2O2S/c12-9-8(6-13-16)11(15)17-10(14-9)7-4-2-1-3-5-7/h1-6,16H/b13-6-
InChIKeyXFMQMLYNRPOVFK-MLPAPPSSSA-N
XLogP2.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one?
The IUPAC name of 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one (CID 23271519) is 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one.
What is the SMILES notation for 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one?
The canonical SMILES for 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one is O=c1sc(-c2ccccc2)nc(Cl)c1/C=N\O.
What is the InChIKey of 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one?
The InChIKey is XFMQMLYNRPOVFK-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-9-8(6-13-16)11(15)17-10(14-9)7-4-2-1-3-5-7/h1-6,16H/b13-6-.
What are the key properties of 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one?
4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one has a molecular weight of 266.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one is sourced from PubChem (CID 23271519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).