2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine

C6H11NS — CID 174317661

IUPAC2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine
SMILESCC1=CSC(C)NC1
InChIInChI=1S/C6H11NS/c1-5-3-7-6(2)8-4-5/h4,6-7H,3H2,1-2H3
InChIKeySMIPWTRPMHWRAU-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.57
Rot. Bonds

About 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine

2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine (PubChem CID 174317661) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine
PubChem CID174317661
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine
SMILESCC1=CSC(C)NC1
InChIInChI=1S/C6H11NS/c1-5-3-7-6(2)8-4-5/h4,6-7H,3H2,1-2H3
InChIKeySMIPWTRPMHWRAU-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine (CID 174317661) is 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine is CC1=CSC(C)NC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine?
The InChIKey is SMIPWTRPMHWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-3-7-6(2)8-4-5/h4,6-7H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine?
2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 174317661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).