2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C19H18N4O2S2 — CID 46203768

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(C2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2S2/c1-12-6-8-13(9-7-12)18-23(17(25)11-26-18)22-16(24)10-27-19-20-14-4-2-3-5-15(14)21-19/h2-9,18H,10-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyJXTIUTHPYUGYHU-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.27
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 46203768) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID46203768
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(C2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2S2/c1-12-6-8-13(9-7-12)18-23(17(25)11-26-18)22-16(24)10-27-19-20-14-4-2-3-5-15(14)21-19/h2-9,18H,10-11H2,1H3,(H,20,21)(H,22,24)
InChIKeyJXTIUTHPYUGYHU-UHFFFAOYSA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 46203768) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(C2SCC(=O)N2NC(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is JXTIUTHPYUGYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-12-6-8-13(9-7-12)18-23(17(25)11-26-18)22-16(24)10-27-19-20-14-4-2-3-5-15(14)21-19/h2-9,18H,10-11H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 46203768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).