8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide

C26H21N3O3S2 — CID 3144319

About 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide

8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 3144319) has the molecular formula C26H21N3O3S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 3144319
• Molecular Formula: C26H21N3O3S2
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.10
• IUPAC Name: 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: COc1cccc2cc(C(=O)Nc3nc(-c4cccs4)c(C)s3)/c(=N/c3ccc(C)cc3)oc12
• InChI: InChI=1S/C26H21N3O3S2/c1-15-9-11-18(12-10-15)27-25-19(14-17-6-4-7-20(31-3)23(17)32-25)24(30)29-26-28-22(16(2)34-26)21-8-5-13-33-21/h4-14H,1-3H3,(H,28,29,30)/b27-25-
• InChIKey: MXAFJJWOLWXTOQ-RFBIWTDZSA-N
• XLogP: 6.73
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide?

The IUPAC name of 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide (CID 3144319) is 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide.

What is the SMILES notation for 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide?

The canonical SMILES for 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4cccs4)c(C)s3)/c(=N/c3ccc(C)cc3)oc12.

What is the InChIKey of 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide?

The InChIKey is MXAFJJWOLWXTOQ-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H21N3O3S2/c1-15-9-11-18(12-10-15)27-25-19(14-17-6-4-7-20(31-3)23(17)32-25)24(30)29-26-28-22(16(2)34-26)21-8-5-13-33-21/h4-14H,1-3H3,(H,28,29,30)/b27-25-.

What are the key properties of 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide?

8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 3144319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).