(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide

C19H23N7O6S2 — CID 156519643

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide (PubChem CID 156519643) has the molecular formula C19H23N7O6S2 and a molecular weight of 509.57 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide
• PubChem CID: 156519643
• Molecular Formula: C19H23N7O6S2
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.12
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide
• SMILES: [H]/N=C(\N)c1ccc(OCCO/N=C(\C(=O)NC2C(=O)N(OSO)C2(C)C)c2csc(N)n2)cc1
• InChI: InChI=1S/C19H23N7O6S2/c1-19(2)14(17(28)26(19)32-34-29)24-16(27)13(12-9-33-18(22)23-12)25-31-8-7-30-11-5-3-10(4-6-11)15(20)21/h3-6,9,14,29H,7-8H2,1-2H3,(H3,20,21)(H2,22,23)(H,24,27)/b25-13-
• InChIKey: ZSFMZTBSNJREMJ-MXAYSNPKSA-N
• XLogP: 0.97
• TPSA: 198.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide?

The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide (CID 156519643) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide.

What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide?

The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide is [H]/N=C(\N)c1ccc(OCCO/N=C(\C(=O)NC2C(=O)N(OSO)C2(C)C)c2csc(N)n2)cc1.

What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide?

The InChIKey is ZSFMZTBSNJREMJ-MXAYSNPKSA-N. The full InChI is InChI=1S/C19H23N7O6S2/c1-19(2)14(17(28)26(19)32-34-29)24-16(27)13(12-9-33-18(22)23-12)25-31-8-7-30-11-5-3-10(4-6-11)15(20)21/h3-6,9,14,29H,7-8H2,1-2H3,(H3,20,21)(H2,22,23)(H,24,27)/b25-13-.

What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide?

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide has a molecular weight of 509.57 g/mol, XLogP of 0.97, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-(4-carbamimidoylphenoxy)ethoxyimino]-N-(1-hydroxysulfanyloxy-2,2-dimethyl-4-oxoazetidin-3-yl)acetamide is sourced from PubChem (CID 156519643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).