3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide

C19H17N3O2S2 — CID 55922394

About 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55922394) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 55922394
• Molecular Formula: C19H17N3O2S2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.08
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1cc(-c2csc(NC(=O)CCc3nc4ccccc4s3)n2)c(C)o1
• InChI: InChI=1S/C19H17N3O2S2/c1-11-9-13(12(2)24-11)15-10-25-19(21-15)22-17(23)7-8-18-20-14-5-3-4-6-16(14)26-18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23)
• InChIKey: SHELCHVRFJVLFH-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide (CID 55922394) is 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide is Cc1cc(-c2csc(NC(=O)CCc3nc4ccccc4s3)n2)c(C)o1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is SHELCHVRFJVLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11-9-13(12(2)24-11)15-10-25-19(21-15)22-17(23)7-8-18-20-14-5-3-4-6-16(14)26-18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23).

What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?

3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 383.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55922394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).