6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile

C10H8N2OS3 — CID 2803188

IUPAC6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
SMILESCSC1=C(C#N)C(=O)NC(c2cccs2)S1
InChIInChI=1S/C10H8N2OS3/c1-14-10-6(5-11)8(13)12-9(16-10)7-3-2-4-15-7/h2-4,9H,1H3,(H,12,13)
InChIKeyZVNGGJSVFRTQNX-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.71
Rot. Bonds2

About 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile

6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile (PubChem CID 2803188) has the molecular formula C10H8N2OS3 and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile.

Molecular Properties

Compound Name6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
PubChem CID2803188
Molecular FormulaC10H8N2OS3
Molecular Weight268.39 g/mol
Exact Mass267.98
IUPAC Name6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile
SMILESCSC1=C(C#N)C(=O)NC(c2cccs2)S1
InChIInChI=1S/C10H8N2OS3/c1-14-10-6(5-11)8(13)12-9(16-10)7-3-2-4-15-7/h2-4,9H,1H3,(H,12,13)
InChIKeyZVNGGJSVFRTQNX-UHFFFAOYSA-N
XLogP2.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile?
The IUPAC name of 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile (CID 2803188) is 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile.
What is the SMILES notation for 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile?
The canonical SMILES for 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile is CSC1=C(C#N)C(=O)NC(c2cccs2)S1.
What is the InChIKey of 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile?
The InChIKey is ZVNGGJSVFRTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS3/c1-14-10-6(5-11)8(13)12-9(16-10)7-3-2-4-15-7/h2-4,9H,1H3,(H,12,13).
What are the key properties of 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile?
6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile has a molecular weight of 268.39 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,3-thiazine-5-carbonitrile is sourced from PubChem (CID 2803188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).