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

C15H14FN3OS — CID 61037785

IUPAC6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESNc1ccc2c(c1)N(C(=O)Nc1ccccc1F)CCS2
InChIInChI=1S/C15H14FN3OS/c16-11-3-1-2-4-12(11)18-15(20)19-7-8-21-14-6-5-10(17)9-13(14)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyNKAOUZLRDFYFDC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.55
Rot. Bonds1

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

6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 61037785) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID61037785
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESNc1ccc2c(c1)N(C(=O)Nc1ccccc1F)CCS2
InChIInChI=1S/C15H14FN3OS/c16-11-3-1-2-4-12(11)18-15(20)19-7-8-21-14-6-5-10(17)9-13(14)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyNKAOUZLRDFYFDC-UHFFFAOYSA-N
XLogP3.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylphenyl)ethanone
CID 61038021
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-bromo-5-fluorophenyl)methanone
CID 61038023
N-(2-fluorophenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382953
tert-butyl 6-amino-2,3-dihydro-1,4-benzothiazine-4-carboxylate
CID 61038495
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82810516
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-bromothiophen-3-yl)methanone
CID 107959412
6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 43544036
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107174857
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-3-cyclopentylpropan-1-one
CID 61036887
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907134

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 61037785) is 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is Nc1ccc2c(c1)N(C(=O)Nc1ccccc1F)CCS2.
What is the InChIKey of 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is NKAOUZLRDFYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-11-3-1-2-4-12(11)18-15(20)19-7-8-21-14-6-5-10(17)9-13(14)19/h1-6,9H,7-8,17H2,(H,18,20).
What are the key properties of 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 61037785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).