5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione

C19H12ClNO3S — CID 139228594

IUPAC5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione
SMILESO=C1CC(c2ccc(Cl)cc2)c2c(nc(-c3ccccc3)sc2=O)O1
InChIInChI=1S/C19H12ClNO3S/c20-13-8-6-11(7-9-13)14-10-15(22)24-17-16(14)19(23)25-18(21-17)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyXMMJVVOBRMJOBN-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.26
Rot. Bonds2

About 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione

5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione (PubChem CID 139228594) has the molecular formula C19H12ClNO3S and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione
PubChem CID139228594
Molecular FormulaC19H12ClNO3S
Molecular Weight369.83 g/mol
Exact Mass369.02
IUPAC Name5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione
SMILESO=C1CC(c2ccc(Cl)cc2)c2c(nc(-c3ccccc3)sc2=O)O1
InChIInChI=1S/C19H12ClNO3S/c20-13-8-6-11(7-9-13)14-10-15(22)24-17-16(14)19(23)25-18(21-17)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyXMMJVVOBRMJOBN-UHFFFAOYSA-N
XLogP4.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione 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 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione?
The IUPAC name of 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione (CID 139228594) is 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione?
The canonical SMILES for 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione is O=C1CC(c2ccc(Cl)cc2)c2c(nc(-c3ccccc3)sc2=O)O1.
What is the InChIKey of 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione?
The InChIKey is XMMJVVOBRMJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3S/c20-13-8-6-11(7-9-13)14-10-15(22)24-17-16(14)19(23)25-18(21-17)12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione?
5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione has a molecular weight of 369.83 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-phenyl-5,6-dihydropyrano[2,3-d][1,3]thiazine-4,7-dione is sourced from PubChem (CID 139228594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).