4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one

C14H12N2OS — CID 22333377

IUPAC4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one
SMILES[H]/N=C1\C(=O)N(c2ccccc2)c2sc(C)c(C)c21
InChIInChI=1S/C14H12N2OS/c1-8-9(2)18-14-11(8)12(15)13(17)16(14)10-6-4-3-5-7-10/h3-7,15H,1-2H3/b15-12-
InChIKeyQUVYBGJLIMGGMB-QINSGFPZSA-N
MW256.33 g/mol
LogP3.41
Rot. Bonds1

About 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one

4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one (PubChem CID 22333377) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one.

Molecular Properties

Compound Name4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one
PubChem CID22333377
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one
SMILES[H]/N=C1\C(=O)N(c2ccccc2)c2sc(C)c(C)c21
InChIInChI=1S/C14H12N2OS/c1-8-9(2)18-14-11(8)12(15)13(17)16(14)10-6-4-3-5-7-10/h3-7,15H,1-2H3/b15-12-
InChIKeyQUVYBGJLIMGGMB-QINSGFPZSA-N
XLogP3.41
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one?
The IUPAC name of 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one (CID 22333377) is 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one.
What is the SMILES notation for 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one?
The canonical SMILES for 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one is [H]/N=C1\C(=O)N(c2ccccc2)c2sc(C)c(C)c21.
What is the InChIKey of 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one?
The InChIKey is QUVYBGJLIMGGMB-QINSGFPZSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8-9(2)18-14-11(8)12(15)13(17)16(14)10-6-4-3-5-7-10/h3-7,15H,1-2H3/b15-12-.
What are the key properties of 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one?
4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one has a molecular weight of 256.33 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one is sourced from PubChem (CID 22333377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).