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

C21H16FN3O3S — CID 51367650

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

2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 51367650) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 51367650
• Molecular Formula: C21H16FN3O3S
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.09
• IUPAC Name: 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(C)c3)oc12
• InChI: InChI=1S/C21H16FN3O3S/c1-12-10-14(6-7-16(12)22)24-20-15(19(26)25-21-23-8-9-29-21)11-13-4-3-5-17(27-2)18(13)28-20/h3-11H,1-2H3,(H,23,25,26)/b24-20-
• InChIKey: WPDOSJPNLDLCAQ-GFMRDNFCSA-N
• XLogP: 4.83
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 51367650) is 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

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

The canonical SMILES for 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(C)c3)oc12.

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

The InChIKey is WPDOSJPNLDLCAQ-GFMRDNFCSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-12-10-14(6-7-16(12)22)24-20-15(19(26)25-21-23-8-9-29-21)11-13-4-3-5-17(27-2)18(13)28-20/h3-11H,1-2H3,(H,23,25,26)/b24-20-.

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

2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 51367650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).