(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C14H11BrN2OS — CID 103756375

IUPAC(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H11BrN2OS/c15-13-9-10(5-6-16-13)14(18)17-7-8-19-12-4-2-1-3-11(12)17/h1-6,9H,7-8H2
InChIKeyYZNSNNUHPOZIOT-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.60
Rot. Bonds1

About (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 103756375) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID103756375
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H11BrN2OS/c15-13-9-10(5-6-16-13)14(18)17-7-8-19-12-4-2-1-3-11(12)17/h1-6,9H,7-8H2
InChIKeyYZNSNNUHPOZIOT-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51257923
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205
2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
CID 47005086
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 56782767
N-cyclopropyl-3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)benzenesulfonamide
CID 55359967

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 103756375) is (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1ccnc(Br)c1)N1CCSc2ccccc21.
What is the InChIKey of (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is YZNSNNUHPOZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-13-9-10(5-6-16-13)14(18)17-7-8-19-12-4-2-1-3-11(12)17/h1-6,9H,7-8H2.
What are the key properties of (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 335.23 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 103756375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).