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

C14H11ClN2OS — CID 51257923

IUPAC(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H11ClN2OS/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
InChIKeyBKXHSITVMMIZSM-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.49
Rot. Bonds1

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

(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 51257923) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID51257923
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H11ClN2OS/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
InChIKeyBKXHSITVMMIZSM-UHFFFAOYSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 51257923) is (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1ccnc(Cl)c1)N1CCSc2ccccc21.
What is the InChIKey of (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is BKXHSITVMMIZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/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-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 290.78 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 51257923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).