2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine

C9H12N2S — CID 129158397

IUPAC2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine
SMILESC1=CSC(C2=CNCCC2)=CN1
InChIInChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h4-7,10-11H,1-3H2
InChIKeyUJOWPYMBTATWNE-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.90
Rot. Bonds1

About 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine

2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine (PubChem CID 129158397) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine
PubChem CID129158397
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine
SMILESC1=CSC(C2=CNCCC2)=CN1
InChIInChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h4-7,10-11H,1-3H2
InChIKeyUJOWPYMBTATWNE-UHFFFAOYSA-N
XLogP1.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine?
The IUPAC name of 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine (CID 129158397) is 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine?
The canonical SMILES for 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine is C1=CSC(C2=CNCCC2)=CN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine?
The InChIKey is UJOWPYMBTATWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h4-7,10-11H,1-3H2.
What are the key properties of 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine?
2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine has a molecular weight of 180.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydropyridin-5-yl)-4H-1,4-thiazine is sourced from PubChem (CID 129158397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).