methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate

C26H22N4O6S — CID 6371287

About methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate

methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate (PubChem CID 6371287) has the molecular formula C26H22N4O6S and a molecular weight of 518.55 g/mol. Its IUPAC name is methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate.

Molecular Properties

• Compound Name: methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
• PubChem CID: 6371287
• Molecular Formula: C26H22N4O6S
• Molecular Weight: 518.55 g/mol
• Exact Mass: 518.13
• IUPAC Name: methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
• SMILES: COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)C(c1ccc(OC)cc1)C=2C(=O)Nc1ccc(OC)cc1
• InChI: InChI=1S/C26H22N4O6S/c1-34-16-8-4-14(5-9-16)21-18(13-27)23(28)30-25(33)19(12-20(31)36-3)37-26(30)22(21)24(32)29-15-6-10-17(35-2)11-7-15/h4-12,21H,28H2,1-3H3,(H,29,32)/b19-12-
• InChIKey: KJBAUIHVYNBRSK-UNOMPAQXSA-N
• XLogP: 1.12
• TPSA: 145.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.55
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The IUPAC name of methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate (CID 6371287) is methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate.

What is the SMILES notation for methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The canonical SMILES for methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate is COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)C(c1ccc(OC)cc1)C=2C(=O)Nc1ccc(OC)cc1.

What is the InChIKey of methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The InChIKey is KJBAUIHVYNBRSK-UNOMPAQXSA-N. The full InChI is InChI=1S/C26H22N4O6S/c1-34-16-8-4-14(5-9-16)21-18(13-27)23(28)30-25(33)19(12-20(31)36-3)37-26(30)22(21)24(32)29-15-6-10-17(35-2)11-7-15/h4-12,21H,28H2,1-3H3,(H,29,32)/b19-12-.

What are the key properties of methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate has a molecular weight of 518.55 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z)-2-[5-amino-6-cyano-7-(4-methoxyphenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate is sourced from PubChem (CID 6371287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).