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

C7H10N2S — CID 20655720

IUPAC5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
SMILESC=S1CCNC(C)=C1C#N
InChIInChI=1S/C7H10N2S/c1-6-7(5-8)10(2)4-3-9-6/h9H,2-4H2,1H3
InChIKeyRCPFEJBGYLIWTG-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.05
Rot. Bonds

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

5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile (PubChem CID 20655720) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile.

Molecular Properties

Compound Name5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
PubChem CID20655720
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
SMILESC=S1CCNC(C)=C1C#N
InChIInChI=1S/C7H10N2S/c1-6-7(5-8)10(2)4-3-9-6/h9H,2-4H2,1H3
InChIKeyRCPFEJBGYLIWTG-UHFFFAOYSA-N
XLogP1.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2,3,4,7-tetrahydro-1,4-thiazepine-6-carbonitrile
CID 76764457
5-methyl-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile
CID 20655721
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
CID 55287759

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The IUPAC name of 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile (CID 20655720) is 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile.
What is the SMILES notation for 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The canonical SMILES for 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile is C=S1CCNC(C)=C1C#N.
What is the InChIKey of 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
The InChIKey is RCPFEJBGYLIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-6-7(5-8)10(2)4-3-9-6/h9H,2-4H2,1H3.
What are the key properties of 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile?
5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile has a molecular weight of 154.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylidene-3,4-dihydro-2H-1,4-thiazine-6-carbonitrile is sourced from PubChem (CID 20655720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).