5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one

C10H5ClFNO2S — CID 135542491

IUPAC5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccc(F)cc2)nc(O)c1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-7-8(14)13-9(16-10(7)15)5-1-3-6(12)4-2-5/h1-4,14H
InChIKeyABZFFVCHTWPKDO-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.67
Rot. Bonds1

About 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one

5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one (PubChem CID 135542491) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
PubChem CID135542491
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccc(F)cc2)nc(O)c1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-7-8(14)13-9(16-10(7)15)5-1-3-6(12)4-2-5/h1-4,14H
InChIKeyABZFFVCHTWPKDO-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazine-6-one-4-ol, 2-phenyl-
CID 135425122
1,3-Thiazine-6-one-4-ol, 2-(4-chlorophenyl)-
CID 135418574
4-Chloro-2-phenyl-6h-1,3-thiazin-6-one
CID 13317403
6-Oxo-2-phenyl-5-formyl-4-chloro-1,3-thiazine
CID 13317409
4-Fluoro-2-phenyl-1,3-thiazin-6-one
CID 13317412
2-(3-Chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
CID 135837091
5-chloro-4-hydroxy-2-phenyl-6H-1,3-thiazin-6-one
CID 135422860
4-chloro-5-[(Z)-hydroxyiminomethyl]-2-phenyl-1,3-thiazin-6-one
CID 23271519
6-Oxo-2-phenyl-1,3-thiazin-4-olate
CID 134098695
5-Bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one
CID 135494497
Acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one
CID 135764695
4-hydroxy-5-methyl-2-phenyl-6H-1,3-thiazin-6-one
CID 136030237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one (CID 135542491) is 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one is O=c1sc(-c2ccc(F)cc2)nc(O)c1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The InChIKey is ABZFFVCHTWPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-7-8(14)13-9(16-10(7)15)5-1-3-6(12)4-2-5/h1-4,14H.
What are the key properties of 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one has a molecular weight of 257.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one is sourced from PubChem (CID 135542491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).