5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine

C8H15NS — CID 67557826

IUPAC5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)C1SC=NCC1C
InChIInChI=1S/C8H15NS/c1-6(2)8-7(3)4-9-5-10-8/h5-8H,4H2,1-3H3
InChIKeyLJMBZFPVPDDPHP-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.42
Rot. Bonds1

About 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine

5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 67557826) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
PubChem CID67557826
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)C1SC=NCC1C
InChIInChI=1S/C8H15NS/c1-6(2)8-7(3)4-9-5-10-8/h5-8H,4H2,1-3H3
InChIKeyLJMBZFPVPDDPHP-UHFFFAOYSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine (CID 67557826) is 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine is CC(C)C1SC=NCC1C.
What is the InChIKey of 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is LJMBZFPVPDDPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)8-7(3)4-9-5-10-8/h5-8H,4H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 157.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 67557826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).