Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine

C₁₂H₁₉NS — CID 91235376

About Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine

Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine (PubChem CID 91235376) has the molecular formula C₁₂H₁₉NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine.

Molecular Properties

• Compound Name: Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine
• PubChem CID: 91235376
• Molecular Formula: C₁₂H₁₉NS
• Molecular Weight: 209.36 g/mol
• Exact Mass: 209.12
• IUPAC Name: ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine
• SMILES: C=C1C=C2SCCCN2C=C1C.CC
• InChI: InChI=1S/C10H13NS.C2H6/c1-8-6-10-11(7-9(8)2)4-3-5-12-10;1-2/h6-7H,1,3-5H2,2H3;1-2H3
• InChIKey: DWRVSANFUWRILZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.36
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine?

The IUPAC name of Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine (CID 91235376) is ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine.

What is the SMILES notation for Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine?

The canonical SMILES for Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine is C=C1C=C2SCCCN2C=C1C.CC.

What is the InChIKey of Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine?

The InChIKey is DWRVSANFUWRILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-8-6-10-11(7-9(8)2)4-3-5-12-10;1-2/h6-7H,1,3-5H2,2H3;1-2H3.

What are the key properties of Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine?

Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine has a molecular weight of 209.36 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine is sourced from PubChem (CID 91235376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91235376 — identifiers, structure, computed properties (public domain)

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