6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C21H16BrN3O4S — CID 51367492

About 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 51367492) has the molecular formula C21H16BrN3O4S and a molecular weight of 486.35 g/mol. Its IUPAC name is 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 51367492
• Molecular Formula: C21H16BrN3O4S
• Molecular Weight: 486.35 g/mol
• Exact Mass: 485.00
• IUPAC Name: 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: COc1cc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)cc(OC)c1
• InChI: InChI=1S/C21H16BrN3O4S/c1-27-15-9-14(10-16(11-15)28-2)24-20-17(19(26)25-21-23-5-6-30-21)8-12-7-13(22)3-4-18(12)29-20/h3-11H,1-2H3,(H,23,25,26)/b24-20-
• InChIKey: HPQQDFMGTDQVFR-GFMRDNFCSA-N
• XLogP: 5.15
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.35
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The IUPAC name of 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 51367492) is 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

What is the SMILES notation for 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The canonical SMILES for 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1cc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)cc(OC)c1.

What is the InChIKey of 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The InChIKey is HPQQDFMGTDQVFR-GFMRDNFCSA-N. The full InChI is InChI=1S/C21H16BrN3O4S/c1-27-15-9-14(10-16(11-15)28-2)24-20-17(19(26)25-21-23-5-6-30-21)8-12-7-13(22)3-4-18(12)29-20/h3-11H,1-2H3,(H,23,25,26)/b24-20-.

What are the key properties of 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 486.35 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 51367492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).