ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C16H16N4O4S2 — CID 25102654

About ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 25102654) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
• PubChem CID: 25102654
• Molecular Formula: C16H16N4O4S2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.06
• IUPAC Name: ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
• InChI: InChI=1S/C16H16N4O4S2/c1-2-24-14(22)6-10-7-25-16(18-10)26-8-13(21)17-9-3-4-11-12(5-9)20-15(23)19-11/h3-5,7H,2,6,8H2,1H3,(H,17,21)(H2,19,20,23)
• InChIKey: ZNEWDPXLVOJFRB-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 116.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 25102654) is ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1.

What is the InChIKey of ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

The InChIKey is ZNEWDPXLVOJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-2-24-14(22)6-10-7-25-16(18-10)26-8-13(21)17-9-3-4-11-12(5-9)20-15(23)19-11/h3-5,7H,2,6,8H2,1H3,(H,17,21)(H2,19,20,23).

What are the key properties of ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 392.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 25102654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).