N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

C22H19N3O4S — CID 6235822

About N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (PubChem CID 6235822) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
• PubChem CID: 6235822
• Molecular Formula: C22H19N3O4S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.11
• IUPAC Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
• SMILES: Cn1/c(=N/NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)sc2ccccc21
• InChI: InChI=1S/C22H19N3O4S/c1-25-17-7-2-3-8-19(17)30-22(25)24-23-20(26)12-28-13-9-10-15-14-5-4-6-16(14)21(27)29-18(15)11-13/h2-3,7-11H,4-6,12H2,1H3,(H,23,26)/b24-22-
• InChIKey: UCSMAFIAJICULZ-GYHWCHFESA-N
• XLogP: 2.85
• TPSA: 85.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (CID 6235822) is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

What is the SMILES notation for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The canonical SMILES for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is Cn1/c(=N/NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)sc2ccccc21.

What is the InChIKey of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

The InChIKey is UCSMAFIAJICULZ-GYHWCHFESA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-25-17-7-2-3-8-19(17)30-22(25)24-23-20(26)12-28-13-9-10-15-14-5-4-6-16(14)21(27)29-18(15)11-13/h2-3,7-11H,4-6,12H2,1H3,(H,23,26)/b24-22-.

What are the key properties of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 6235822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).