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

C8H13NS — CID 129200509

IUPAC4-methyl-6-propan-2-yl-4H-1,3-thiazine
SMILESCC1C=C(C(C)C)SC=N1
InChIInChI=1S/C8H13NS/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3
InChIKeyAAFWGUXLVWAMEP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.69
Rot. Bonds1

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

4-methyl-6-propan-2-yl-4H-1,3-thiazine (PubChem CID 129200509) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-4H-1,3-thiazine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-4H-1,3-thiazine
PubChem CID129200509
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-methyl-6-propan-2-yl-4H-1,3-thiazine
SMILESCC1C=C(C(C)C)SC=N1
InChIInChI=1S/C8H13NS/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3
InChIKeyAAFWGUXLVWAMEP-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-thiazine?
The IUPAC name of 4-methyl-6-propan-2-yl-4H-1,3-thiazine (CID 129200509) is 4-methyl-6-propan-2-yl-4H-1,3-thiazine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-4H-1,3-thiazine?
The canonical SMILES for 4-methyl-6-propan-2-yl-4H-1,3-thiazine is CC1C=C(C(C)C)SC=N1.
What is the InChIKey of 4-methyl-6-propan-2-yl-4H-1,3-thiazine?
The InChIKey is AAFWGUXLVWAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)8-4-7(3)9-5-10-8/h4-7H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-4H-1,3-thiazine?
4-methyl-6-propan-2-yl-4H-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 4-methyl-6-propan-2-yl-4H-1,3-thiazine is sourced from PubChem (CID 129200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).