7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one

C17H10FNO2S — CID 139223915

IUPAC7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one
SMILESO=C1C2=CN=C(c3ccccc3)SC2Oc2ccc(F)cc21
InChIInChI=1S/C17H10FNO2S/c18-11-6-7-14-12(8-11)15(20)13-9-19-16(22-17(13)21-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyTVHKAFVZMVGXQZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.80
Rot. Bonds1

About 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one

7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one (PubChem CID 139223915) has the molecular formula C17H10FNO2S and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one.

Molecular Properties

Compound Name7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one
PubChem CID139223915
Molecular FormulaC17H10FNO2S
Molecular Weight311.34 g/mol
Exact Mass311.04
IUPAC Name7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one
SMILESO=C1C2=CN=C(c3ccccc3)SC2Oc2ccc(F)cc21
InChIInChI=1S/C17H10FNO2S/c18-11-6-7-14-12(8-11)15(20)13-9-19-16(22-17(13)21-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyTVHKAFVZMVGXQZ-UHFFFAOYSA-N
XLogP3.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one?
The IUPAC name of 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one (CID 139223915) is 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one.
What is the SMILES notation for 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one?
The canonical SMILES for 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one is O=C1C2=CN=C(c3ccccc3)SC2Oc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one?
The InChIKey is TVHKAFVZMVGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2S/c18-11-6-7-14-12(8-11)15(20)13-9-19-16(22-17(13)21-14)10-4-2-1-3-5-10/h1-9,17H.
What are the key properties of 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one?
7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one has a molecular weight of 311.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-phenyl-10aH-chromeno[3,2-e][1,3]thiazin-5-one is sourced from PubChem (CID 139223915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).