2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

C19H22N4O6S3 — CID 3260392

About 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide

2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3260392) has the molecular formula C19H22N4O6S3 and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 3260392
• Molecular Formula: C19H22N4O6S3
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.07
• IUPAC Name: 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCOc1ccc2c(c1)s/c(=N\C(=O)CS(=O)(=O)CC(=O)Nc1nccs1)n2CCOC
• InChI: InChI=1S/C19H22N4O6S3/c1-3-29-13-4-5-14-15(10-13)31-19(23(14)7-8-28-2)22-17(25)12-32(26,27)11-16(24)21-18-20-6-9-30-18/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,21,24)/b22-19-
• InChIKey: QUCUOVZMUXDBRS-QOCHGBHMSA-N
• XLogP: 1.69
• TPSA: 128.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide (CID 3260392) is 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccc2c(c1)s/c(=N\C(=O)CS(=O)(=O)CC(=O)Nc1nccs1)n2CCOC.

What is the InChIKey of 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is QUCUOVZMUXDBRS-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H22N4O6S3/c1-3-29-13-4-5-14-15(10-13)31-19(23(14)7-8-28-2)22-17(25)12-32(26,27)11-16(24)21-18-20-6-9-30-18/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,21,24)/b22-19-.

What are the key properties of 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide?

2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3260392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).