(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone

C13H12N2OS2 — CID 54905303

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccs1)CCS2
InChIInChI=1S/C13H12N2OS2/c14-9-3-4-11-10(8-9)15(5-7-18-11)13(16)12-2-1-6-17-12/h1-4,6,8H,5,7,14H2
InChIKeyHVMOTLYCWLMIAC-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.08
Rot. Bonds1

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone (PubChem CID 54905303) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone
PubChem CID54905303
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccs1)CCS2
InChIInChI=1S/C13H12N2OS2/c14-9-3-4-11-10(8-9)15(5-7-18-11)13(16)12-2-1-6-17-12/h1-4,6,8H,5,7,14H2
InChIKeyHVMOTLYCWLMIAC-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 80721624
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-bromothiophen-3-yl)methanone
CID 107959412
(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-fluoro-2-pyridinyl)methanone
CID 104638050
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-bromo-5-fluorophenyl)methanone
CID 61038023
tert-butyl 6-amino-2,3-dihydro-1,4-benzothiazine-4-carboxylate
CID 61038495
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-propylpentan-1-one
CID 82985269
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylphenyl)ethanone
CID 61038021
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 61037785
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66157319
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-3-cyclopentylpropan-1-one
CID 61036887
4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
CID 55237866

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone (CID 54905303) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone is Nc1ccc2c(c1)N(C(=O)c1cccs1)CCS2.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is HVMOTLYCWLMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c14-9-3-4-11-10(8-9)15(5-7-18-11)13(16)12-2-1-6-17-12/h1-4,6,8H,5,7,14H2.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 276.39 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 54905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).