2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

C19H18N2OS2 — CID 18229777

IUPAC2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccccc1/N=C1\SCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C19H18N2OS2/c1-13-6-2-4-8-15(13)20-19-21(10-11-23-19)18(22)17-12-14-7-3-5-9-16(14)24-17/h2-9,17H,10-12H2,1H3/b20-19-
InChIKeyBVGHAGNMYVUGPV-VXPUYCOJSA-N
MW354.50 g/mol
LogP4.27
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (PubChem CID 18229777) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
PubChem CID18229777
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccccc1/N=C1\SCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C19H18N2OS2/c1-13-6-2-4-8-15(13)20-19-21(10-11-23-19)18(22)17-12-14-7-3-5-9-16(14)24-17/h2-9,17H,10-12H2,1H3/b20-19-
InChIKeyBVGHAGNMYVUGPV-VXPUYCOJSA-N
XLogP4.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (CID 18229777) is 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is Cc1ccccc1/N=C1\SCCN1C(=O)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The InChIKey is BVGHAGNMYVUGPV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-13-6-2-4-8-15(13)20-19-21(10-11-23-19)18(22)17-12-14-7-3-5-9-16(14)24-17/h2-9,17H,10-12H2,1H3/b20-19-.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone has a molecular weight of 354.50 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 18229777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).