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

C18H16N4O3S2 — CID 46203767

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccc(O)cc1
InChIInChI=1S/C18H16N4O3S2/c23-12-7-5-11(6-8-12)17-22(16(25)10-26-17)21-15(24)9-27-18-19-13-3-1-2-4-14(13)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24)
InChIKeyJHFOSXKKRMJQPS-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.67
Rot. Bonds5

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

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 46203767) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID46203767
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccc(O)cc1
InChIInChI=1S/C18H16N4O3S2/c23-12-7-5-11(6-8-12)17-22(16(25)10-26-17)21-15(24)9-27-18-19-13-3-1-2-4-14(13)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24)
InChIKeyJHFOSXKKRMJQPS-UHFFFAOYSA-N
XLogP2.67
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 46203767) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccc(O)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is JHFOSXKKRMJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-12-7-5-11(6-8-12)17-22(16(25)10-26-17)21-15(24)9-27-18-19-13-3-1-2-4-14(13)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 400.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 46203767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).