2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine

C11H12N2S — CID 121223462

IUPAC2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine
SMILESC(=C/c1ccccn1)\C1=NCCCS1
InChIInChI=1S/C11H12N2S/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h1-2,4-7H,3,8-9H2/b6-5+
InChIKeyQITKHZKQYFAYLJ-AATRIKPKSA-N
MW204.30 g/mol
LogP2.63
Rot. Bonds2

About 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine

2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine (PubChem CID 121223462) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine
PubChem CID121223462
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine
SMILESC(=C/c1ccccn1)\C1=NCCCS1
InChIInChI=1S/C11H12N2S/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h1-2,4-7H,3,8-9H2/b6-5+
InChIKeyQITKHZKQYFAYLJ-AATRIKPKSA-N
XLogP2.63
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
CID 6529972
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
cyclobutane;2-[2-(2-fluorophenyl)ethenyl]pyridine
CID 175276966
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole
CID 66774546
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
(3Z)-4-pyridin-2-ylbuta-1,3-dien-1-one
CID 45079584
2-methyl-6-[(Z)-2-pyridin-2-ylethenyl]pyridine
CID 141005556
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine (CID 121223462) is 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine is C(=C/c1ccccn1)\C1=NCCCS1.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is QITKHZKQYFAYLJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h1-2,4-7H,3,8-9H2/b6-5+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine?
2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 204.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 121223462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).