2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one

C12H12N2O2S2 — CID 140544647

IUPAC2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(C2CSc3cc(OC)ccc32)S1
InChIInChI=1S/C12H12N2O2S2/c1-16-6-2-3-7-8(5-17-9(7)4-6)10-11(15)14-12(13)18-10/h2-4,8,10H,5H2,1H3,(H2,13,14,15)
InChIKeyUJRRTGPPEGIVDZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds2

About 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one

2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one (PubChem CID 140544647) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one
PubChem CID140544647
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(C2CSc3cc(OC)ccc32)S1
InChIInChI=1S/C12H12N2O2S2/c1-16-6-2-3-7-8(5-17-9(7)4-6)10-11(15)14-12(13)18-10/h2-4,8,10H,5H2,1H3,(H2,13,14,15)
InChIKeyUJRRTGPPEGIVDZ-UHFFFAOYSA-N
XLogP2.05
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one
CID 139058923
(3aS,3bS,9bS,11aS)-7-methoxy-11a-methyl-2,3,3a,3b,4,9b,10,11-octahydroindeno[4,5-c]thiochromen-1-one
CID 100903432
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
CID 23537988
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 86261510
5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138389446
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804392
(3S,5S)-5-(2,4-dimethoxyphenyl)-3-methylthiomorpholin-2-one
CID 66748791

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one (CID 140544647) is 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(C2CSc3cc(OC)ccc32)S1.
What is the InChIKey of 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is UJRRTGPPEGIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-16-6-2-3-7-8(5-17-9(7)4-6)10-11(15)14-12(13)18-10/h2-4,8,10H,5H2,1H3,(H2,13,14,15).
What are the key properties of 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one?
2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 280.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 140544647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).