N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

C20H17N3OS3 — CID 23857374

About N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23857374) has the molecular formula C20H17N3OS3 and a molecular weight of 411.58 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
• PubChem CID: 23857374
• Molecular Formula: C20H17N3OS3
• Molecular Weight: 411.58 g/mol
• Exact Mass: 411.05
• IUPAC Name: N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
• SMILES: COc1cccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccc(C)s2)c1
• InChI: InChI=1S/C20H17N3OS3/c1-14-8-9-17(27-14)12-21-23-18(19-7-4-10-25-19)13-26-20(23)22-15-5-3-6-16(11-15)24-2/h3-13H,1-2H3/b21-12?,22-20-
• InChIKey: SVIJRCWKZPZGLM-GCFQZWQLSA-N
• XLogP: 5.77
• TPSA: 38.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.58
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?

The IUPAC name of N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23857374) is N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

What is the SMILES notation for N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?

The canonical SMILES for N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccc(C)s2)c1.

What is the InChIKey of N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?

The InChIKey is SVIJRCWKZPZGLM-GCFQZWQLSA-N. The full InChI is InChI=1S/C20H17N3OS3/c1-14-8-9-17(27-14)12-21-23-18(19-7-4-10-25-19)13-26-20(23)22-15-5-3-6-16(11-15)24-2/h3-13H,1-2H3/b21-12?,22-20-.

What are the key properties of N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?

N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 411.58 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).