2,3,5-trimethyl-2,4-dihydro-1,3-thiazine

C7H13NS — CID 89217846

IUPAC2,3,5-trimethyl-2,4-dihydro-1,3-thiazine
SMILESCC1=CSC(C)N(C)C1
InChIInChI=1S/C7H13NS/c1-6-4-8(3)7(2)9-5-6/h5,7H,4H2,1-3H3
InChIKeyLRVHESKUWJTHSR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.91
Rot. Bonds

About 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine

2,3,5-trimethyl-2,4-dihydro-1,3-thiazine (PubChem CID 89217846) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name2,3,5-trimethyl-2,4-dihydro-1,3-thiazine
PubChem CID89217846
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2,3,5-trimethyl-2,4-dihydro-1,3-thiazine
SMILESCC1=CSC(C)N(C)C1
InChIInChI=1S/C7H13NS/c1-6-4-8(3)7(2)9-5-6/h5,7H,4H2,1-3H3
InChIKeyLRVHESKUWJTHSR-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine?
The IUPAC name of 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine (CID 89217846) is 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine.
What is the SMILES notation for 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine?
The canonical SMILES for 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine is CC1=CSC(C)N(C)C1.
What is the InChIKey of 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine?
The InChIKey is LRVHESKUWJTHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-4-8(3)7(2)9-5-6/h5,7H,4H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine?
2,3,5-trimethyl-2,4-dihydro-1,3-thiazine has a molecular weight of 143.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-2,4-dihydro-1,3-thiazine is sourced from PubChem (CID 89217846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).