8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide

C27H21N3O3S — CID 3993915

About 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide

8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 3993915) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 3993915
• Molecular Formula: C27H21N3O3S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.13
• IUPAC Name: 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: COc1cccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)/c(=N/c3cccc(C)c3)oc12
• InChI: InChI=1S/C27H21N3O3S/c1-17-8-6-12-20(14-17)28-26-21(15-19-11-7-13-23(32-2)24(19)33-26)25(31)30-27-29-22(16-34-27)18-9-4-3-5-10-18/h3-16H,1-2H3,(H,29,30,31)/b28-26-
• InChIKey: GJENDGNZYLOBFO-SGEDCAFJSA-N
• XLogP: 6.36
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide (CID 3993915) is 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide.

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

The canonical SMILES for 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)/c(=N/c3cccc(C)c3)oc12.

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

The InChIKey is GJENDGNZYLOBFO-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H21N3O3S/c1-17-8-6-12-20(14-17)28-26-21(15-19-11-7-13-23(32-2)24(19)33-26)25(31)30-27-29-22(16-34-27)18-9-4-3-5-10-18/h3-16H,1-2H3,(H,29,30,31)/b28-26-.

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

8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 3993915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).