6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine

C15H11ClN2S — CID 7040922

IUPAC6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine
SMILESClC1=C(c2ccccc2)N=CC(c2ccncc2)S1
InChIInChI=1S/C15H11ClN2S/c16-15-14(12-4-2-1-3-5-12)18-10-13(19-15)11-6-8-17-9-7-11/h1-10,13H
InChIKeyKMZMJFSOJBKTAH-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.51
Rot. Bonds2

About 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine

6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine (PubChem CID 7040922) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine.

Molecular Properties

Compound Name6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine
PubChem CID7040922
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine
SMILESClC1=C(c2ccccc2)N=CC(c2ccncc2)S1
InChIInChI=1S/C15H11ClN2S/c16-15-14(12-4-2-1-3-5-12)18-10-13(19-15)11-6-8-17-9-7-11/h1-10,13H
InChIKeyKMZMJFSOJBKTAH-UHFFFAOYSA-N
XLogP4.51
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine?
The IUPAC name of 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine (CID 7040922) is 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine.
What is the SMILES notation for 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine?
The canonical SMILES for 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine is ClC1=C(c2ccccc2)N=CC(c2ccncc2)S1.
What is the InChIKey of 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine?
The InChIKey is KMZMJFSOJBKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-15-14(12-4-2-1-3-5-12)18-10-13(19-15)11-6-8-17-9-7-11/h1-10,13H.
What are the key properties of 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine?
6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine has a molecular weight of 286.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-2-pyridin-4-yl-2H-1,4-thiazine is sourced from PubChem (CID 7040922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).