2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide

C16H20N2O5S2 — CID 4905304

About 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide

2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide (PubChem CID 4905304) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
• PubChem CID: 4905304
• Molecular Formula: C16H20N2O5S2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.08
• IUPAC Name: 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
• SMILES: COCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1Cc1cccc(OC)c1
• InChI: InChI=1S/C16H20N2O5S2/c1-22-8-15(19)17-16-18(7-11-4-3-5-12(6-11)23-2)13-9-25(20,21)10-14(13)24-16/h3-6,13-14H,7-10H2,1-2H3/b17-16-
• InChIKey: MLDJITTYCKYBIN-MSUUIHNZSA-N
• XLogP: 0.94
• TPSA: 85.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide?

The IUPAC name of 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide (CID 4905304) is 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide.

What is the SMILES notation for 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide?

The canonical SMILES for 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide is COCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1Cc1cccc(OC)c1.

What is the InChIKey of 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide?

The InChIKey is MLDJITTYCKYBIN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c1-22-8-15(19)17-16-18(7-11-4-3-5-12(6-11)23-2)13-9-25(20,21)10-14(13)24-16/h3-6,13-14H,7-10H2,1-2H3/b17-16-.

What are the key properties of 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide?

2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide has a molecular weight of 384.48 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-[(3-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide is sourced from PubChem (CID 4905304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).