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

C10H5ClFNO2S — CID 135837091

IUPAC2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)10-13-8(14)4-9(15)16-10/h1-4,14H
InChIKeyIEUZEJRBBOKTCB-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.67
Rot. Bonds1

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

2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one (PubChem CID 135837091) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
PubChem CID135837091
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)10-13-8(14)4-9(15)16-10/h1-4,14H
InChIKeyIEUZEJRBBOKTCB-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
2-(5-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501119
2-(3-Chloro-4-fluorophenyl)-5-(2-ethylphenyl)sulfanyl-4-hydroxy-1,3-thiazin-6-one
CID 135518650
5-Chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
CID 135542491
5-chloro-4-hydroxy-2-phenyl-6H-1,3-thiazin-6-one
CID 135422860

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one (CID 135837091) is 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one is O=c1cc(O)nc(-c2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The InChIKey is IEUZEJRBBOKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)10-13-8(14)4-9(15)16-10/h1-4,14H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one?
2-(3-chloro-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 2-(3-chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one is sourced from PubChem (CID 135837091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).