4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide

C19H17N3O4S — CID 54684925

IUPAC4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O
InChIInChI=1S/C19H17N3O4S/c1-21-14-11-7-6-10-13(14)18-15(21)17(23)16(22(2)27(18,25)26)19(24)20-12-8-4-3-5-9-12/h3-11,23H,1-2H3,(H,20,24)
InChIKeyLKGUTMQMKKSSJD-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.68
Rot. Bonds2

About 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide

4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide (PubChem CID 54684925) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
PubChem CID54684925
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O
InChIInChI=1S/C19H17N3O4S/c1-21-14-11-7-6-10-13(14)18-15(21)17(23)16(22(2)27(18,25)26)19(24)20-12-8-4-3-5-9-12/h3-11,23H,1-2H3,(H,20,24)
InChIKeyLKGUTMQMKKSSJD-UHFFFAOYSA-N
XLogP2.68
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide 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 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The IUPAC name of 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide (CID 54684925) is 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide is CN1C(C(=O)Nc2ccccc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O.
What is the InChIKey of 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
The InChIKey is LKGUTMQMKKSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-21-14-11-7-6-10-13(14)18-15(21)17(23)16(22(2)27(18,25)26)19(24)20-12-8-4-3-5-9-12/h3-11,23H,1-2H3,(H,20,24).
What are the key properties of 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide?
4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide is sourced from PubChem (CID 54684925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).