4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile

C10H7N3OS — CID 52941164

IUPAC4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N1c1nccs1
InChIInChI=1S/C10H7N3OS/c1-6-7(2)13(9(14)8(6)5-11)10-12-3-4-15-10/h3-4H,2H2,1H3
InChIKeyVPLGMAPNZJSREA-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.84
Rot. Bonds1

About 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile

4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile (PubChem CID 52941164) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile
PubChem CID52941164
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N1c1nccs1
InChIInChI=1S/C10H7N3OS/c1-6-7(2)13(9(14)8(6)5-11)10-12-3-4-15-10/h3-4H,2H2,1H3
InChIKeyVPLGMAPNZJSREA-UHFFFAOYSA-N
XLogP1.84
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile?
The IUPAC name of 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile (CID 52941164) is 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile.
What is the SMILES notation for 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile?
The canonical SMILES for 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile is C=C1C(C)=C(C#N)C(=O)N1c1nccs1.
What is the InChIKey of 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile?
The InChIKey is VPLGMAPNZJSREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6-7(2)13(9(14)8(6)5-11)10-12-3-4-15-10/h3-4H,2H2,1H3.
What are the key properties of 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile?
4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-2-oxo-1-(1,3-thiazol-2-yl)pyrrole-3-carbonitrile is sourced from PubChem (CID 52941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).