4,6-diethyl-2-methyl-4H-1,3-thiazine

C9H15NS — CID 146588431

IUPAC4,6-diethyl-2-methyl-4H-1,3-thiazine
SMILESCCC1=CC(CC)N=C(C)S1
InChIInChI=1S/C9H15NS/c1-4-8-6-9(5-2)11-7(3)10-8/h6,8H,4-5H2,1-3H3
InChIKeyXOBATBBIGPMVCA-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.22
Rot. Bonds2

About 4,6-diethyl-2-methyl-4H-1,3-thiazine

4,6-diethyl-2-methyl-4H-1,3-thiazine (PubChem CID 146588431) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4,6-diethyl-2-methyl-4H-1,3-thiazine.

Molecular Properties

Compound Name4,6-diethyl-2-methyl-4H-1,3-thiazine
PubChem CID146588431
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4,6-diethyl-2-methyl-4H-1,3-thiazine
SMILESCCC1=CC(CC)N=C(C)S1
InChIInChI=1S/C9H15NS/c1-4-8-6-9(5-2)11-7(3)10-8/h6,8H,4-5H2,1-3H3
InChIKeyXOBATBBIGPMVCA-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2-methyl-4H-1,3-thiazine?
The IUPAC name of 4,6-diethyl-2-methyl-4H-1,3-thiazine (CID 146588431) is 4,6-diethyl-2-methyl-4H-1,3-thiazine.
What is the SMILES notation for 4,6-diethyl-2-methyl-4H-1,3-thiazine?
The canonical SMILES for 4,6-diethyl-2-methyl-4H-1,3-thiazine is CCC1=CC(CC)N=C(C)S1.
What is the InChIKey of 4,6-diethyl-2-methyl-4H-1,3-thiazine?
The InChIKey is XOBATBBIGPMVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-8-6-9(5-2)11-7(3)10-8/h6,8H,4-5H2,1-3H3.
What are the key properties of 4,6-diethyl-2-methyl-4H-1,3-thiazine?
4,6-diethyl-2-methyl-4H-1,3-thiazine has a molecular weight of 169.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2-methyl-4H-1,3-thiazine is sourced from PubChem (CID 146588431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).