(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide

C17H17Cl2N5O4S — CID 88643756

About (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide

(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide (PubChem CID 88643756) has the molecular formula C17H17Cl2N5O4S and a molecular weight of 458.33 g/mol. Its IUPAC name is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide.

Molecular Properties

• Compound Name: (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide
• PubChem CID: 88643756
• Molecular Formula: C17H17Cl2N5O4S
• Molecular Weight: 458.33 g/mol
• Exact Mass: 457.04
• IUPAC Name: (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide
• SMILES: CO/N=C(\C(=O)NC1C(O)NC1c1ccc(Cl)cc1)c1csc(NC(=O)CCl)n1
• InChI: InChI=1S/C17H17Cl2N5O4S/c1-28-24-13(10-7-29-17(20-10)21-11(25)6-18)15(26)23-14-12(22-16(14)27)8-2-4-9(19)5-3-8/h2-5,7,12,14,16,22,27H,6H2,1H3,(H,23,26)(H,20,21,25)/b24-13-
• InChIKey: ATUXKIQLJMZURH-CFRMEGHHSA-N
• XLogP: 1.47
• TPSA: 124.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.33
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide?

The IUPAC name of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide (CID 88643756) is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide.

What is the SMILES notation for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide?

The canonical SMILES for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide is CO/N=C(\C(=O)NC1C(O)NC1c1ccc(Cl)cc1)c1csc(NC(=O)CCl)n1.

What is the InChIKey of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide?

The InChIKey is ATUXKIQLJMZURH-CFRMEGHHSA-N. The full InChI is InChI=1S/C17H17Cl2N5O4S/c1-28-24-13(10-7-29-17(20-10)21-11(25)6-18)15(26)23-14-12(22-16(14)27)8-2-4-9(19)5-3-8/h2-5,7,12,14,16,22,27H,6H2,1H3,(H,23,26)(H,20,21,25)/b24-13-.

What are the key properties of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide?

(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide has a molecular weight of 458.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[2-(4-chlorophenyl)-4-hydroxyazetidin-3-yl]-2-methoxyiminoacetamide is sourced from PubChem (CID 88643756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).