6-methyl-2-propan-2-yl-6H-1,3-thiazine

C8H13NS — CID 155154829

IUPAC6-methyl-2-propan-2-yl-6H-1,3-thiazine
SMILESCC1C=CN=C(C(C)C)S1
InChIInChI=1S/C8H13NS/c1-6(2)8-9-5-4-7(3)10-8/h4-7H,1-3H3
InChIKeyFFPIGRORFKGONT-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.69
Rot. Bonds1

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

6-methyl-2-propan-2-yl-6H-1,3-thiazine (PubChem CID 155154829) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-6H-1,3-thiazine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-6H-1,3-thiazine
PubChem CID155154829
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name6-methyl-2-propan-2-yl-6H-1,3-thiazine
SMILESCC1C=CN=C(C(C)C)S1
InChIInChI=1S/C8H13NS/c1-6(2)8-9-5-4-7(3)10-8/h4-7H,1-3H3
InChIKeyFFPIGRORFKGONT-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-propan-2-yl-6H-1,3-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-6H-1,3-thiazine?
The IUPAC name of 6-methyl-2-propan-2-yl-6H-1,3-thiazine (CID 155154829) is 6-methyl-2-propan-2-yl-6H-1,3-thiazine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-6H-1,3-thiazine?
The canonical SMILES for 6-methyl-2-propan-2-yl-6H-1,3-thiazine is CC1C=CN=C(C(C)C)S1.
What is the InChIKey of 6-methyl-2-propan-2-yl-6H-1,3-thiazine?
The InChIKey is FFPIGRORFKGONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)8-9-5-4-7(3)10-8/h4-7H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-6H-1,3-thiazine?
6-methyl-2-propan-2-yl-6H-1,3-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-6H-1,3-thiazine is sourced from PubChem (CID 155154829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).