2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C23H21N3O3S — CID 4050935

About 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4050935) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 4050935
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(C)c3)oc12
• InChI: InChI=1S/C23H21N3O3S/c1-4-28-19-7-5-6-16-13-18(21(27)26-23-24-10-11-30-23)22(29-20(16)19)25-17-9-8-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,24,26,27)/b25-22-
• InChIKey: DKKYKRLCHFANOI-LVWGJNHUSA-N
• XLogP: 5.39
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The IUPAC name of 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4050935) is 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

What is the SMILES notation for 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The canonical SMILES for 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(C)c3)oc12.

What is the InChIKey of 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The InChIKey is DKKYKRLCHFANOI-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-4-28-19-7-5-6-16-13-18(21(27)26-23-24-10-11-30-23)22(29-20(16)19)25-17-9-8-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,24,26,27)/b25-22-.

What are the key properties of 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4050935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).