2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H20N4O6S2 — CID 3268659

About 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3268659) has the molecular formula C18H20N4O6S2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 3268659
• Molecular Formula: C18H20N4O6S2
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.08
• IUPAC Name: 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: CCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21
• InChI: InChI=1S/C18H20N4O6S2/c1-4-22-13-6-5-12(27-3)8-14(13)29-18(22)20-17(24)10-30(25,26)9-16(23)19-15-7-11(2)28-21-15/h5-8H,4,9-10H2,1-3H3,(H,19,21,23)/b20-18-
• InChIKey: ZONICUMAULDHJO-ZZEZOPTASA-N
• XLogP: 1.51
• TPSA: 132.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3268659) is 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc2cc(C)on2)sc2cc(OC)ccc21.

What is the InChIKey of 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is ZONICUMAULDHJO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20N4O6S2/c1-4-22-13-6-5-12(27-3)8-14(13)29-18(22)20-17(24)10-30(25,26)9-16(23)19-15-7-11(2)28-21-15/h5-8H,4,9-10H2,1-3H3,(H,19,21,23)/b20-18-.

What are the key properties of 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 452.51 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3268659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).