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

C6H8N2S — CID 20655721

IUPAC5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
SMILESCC1=C(C#N)SCCN1
InChIInChI=1S/C6H8N2S/c1-5-6(4-7)9-3-2-8-5/h8H,2-3H2,1H3
InChIKeyLEHWSRQXYLLCMV-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.08
Rot. Bonds

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

5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile (PubChem CID 20655721) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
PubChem CID20655721
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
SMILESCC1=C(C#N)SCCN1
InChIInChI=1S/C6H8N2S/c1-5-6(4-7)9-3-2-8-5/h8H,2-3H2,1H3
InChIKeyLEHWSRQXYLLCMV-UHFFFAOYSA-N
XLogP1.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2,3,4,7-tetrahydro-1,4-thiazepine-6-carbonitrile
CID 76764457
5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
CID 20655720
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
CID 55287759
(2E)-2-thiomorpholin-3-ylideneacetonitrile
CID 144190972
3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine
CID 55287252

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The IUPAC name of 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile (CID 20655721) is 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile is CC1=C(C#N)SCCN1.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The InChIKey is LEHWSRQXYLLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-5-6(4-7)9-3-2-8-5/h8H,2-3H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile has a molecular weight of 140.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile is sourced from PubChem (CID 20655721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).