2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide

C17H16FN3O3S2 — CID 135706405

About 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 135706405) has the molecular formula C17H16FN3O3S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 135706405
• Molecular Formula: C17H16FN3O3S2
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.06
• IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\CC(=O)NCc1cccs1
• InChI: InChI=1S/C17H16FN3O3S2/c1-11-16(12-4-6-13(18)7-5-12)26(23,24)21-17(11)20-10-15(22)19-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
• InChIKey: NVAFONQJIXHZBK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 87.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 135706405) is 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\CC(=O)NCc1cccs1.

What is the InChIKey of 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is NVAFONQJIXHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S2/c1-11-16(12-4-6-13(18)7-5-12)26(23,24)21-17(11)20-10-15(22)19-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21).

What are the key properties of 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide?

2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 135706405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).