5-methyl-3,6-dihydro-2H-1,3-thiazine

C5H9NS — CID 149115478

IUPAC5-methyl-3,6-dihydro-2H-1,3-thiazine
SMILESCC1=CNCSC1
InChIInChI=1S/C5H9NS/c1-5-2-6-4-7-3-5/h2,6H,3-4H2,1H3
InChIKeyQYHBEZZULDDKHJ-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.18
Rot. Bonds

About 5-methyl-3,6-dihydro-2H-1,3-thiazine

5-methyl-3,6-dihydro-2H-1,3-thiazine (PubChem CID 149115478) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-2H-1,3-thiazine
PubChem CID149115478
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name5-methyl-3,6-dihydro-2H-1,3-thiazine
SMILESCC1=CNCSC1
InChIInChI=1S/C5H9NS/c1-5-2-6-4-7-3-5/h2,6H,3-4H2,1H3
InChIKeyQYHBEZZULDDKHJ-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-dihydro-2H-1,3-thiazine?
The IUPAC name of 5-methyl-3,6-dihydro-2H-1,3-thiazine (CID 149115478) is 5-methyl-3,6-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 5-methyl-3,6-dihydro-2H-1,3-thiazine?
The canonical SMILES for 5-methyl-3,6-dihydro-2H-1,3-thiazine is CC1=CNCSC1.
What is the InChIKey of 5-methyl-3,6-dihydro-2H-1,3-thiazine?
The InChIKey is QYHBEZZULDDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-5-2-6-4-7-3-5/h2,6H,3-4H2,1H3.
What are the key properties of 5-methyl-3,6-dihydro-2H-1,3-thiazine?
5-methyl-3,6-dihydro-2H-1,3-thiazine has a molecular weight of 115.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 149115478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).