N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C16H15FN2OS — CID 5082266

IUPACN-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C16H15FN2OS/c1-19-7-8-21-15-6-5-11(9-14(15)19)16(20)18-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyFRWDUPKKYSQCFI-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.62
Rot. Bonds2

About N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 5082266) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID5082266
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C16H15FN2OS/c1-19-7-8-21-15-6-5-11(9-14(15)19)16(20)18-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3,(H,18,20)
InChIKeyFRWDUPKKYSQCFI-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-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 N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 5082266) is N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CN1CCSc2ccc(C(=O)Nc3cccc(F)c3)cc21.
What is the InChIKey of N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is FRWDUPKKYSQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-19-7-8-21-15-6-5-11(9-14(15)19)16(20)18-13-4-2-3-12(17)10-13/h2-6,9-10H,7-8H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5082266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).