5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide

C17H17N3O4S2 — CID 49067839

About 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide (PubChem CID 49067839) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
• PubChem CID: 49067839
• Molecular Formula: C17H17N3O4S2
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.07
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
• SMILES: O=C(NCCN1CCCS1(=O)=O)c1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C17H17N3O4S2/c21-16(18-8-10-20-9-3-11-26(20,22)23)13-6-7-14(24-13)17-19-12-4-1-2-5-15(12)25-17/h1-2,4-7H,3,8-11H2,(H,18,21)
• InChIKey: DGBLPBGTNNTLLA-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide (CID 49067839) is 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide is O=C(NCCN1CCCS1(=O)=O)c1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide?

The InChIKey is DGBLPBGTNNTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c21-16(18-8-10-20-9-3-11-26(20,22)23)13-6-7-14(24-13)17-19-12-4-1-2-5-15(12)25-17/h1-2,4-7H,3,8-11H2,(H,18,21).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 49067839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).