3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C21H24N2O5S — CID 7541324

About 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 7541324) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 7541324
• Molecular Formula: C21H24N2O5S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.14
• IUPAC Name: 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cccc(OC)c21
• InChI: InChI=1S/C21H24N2O5S/c1-6-10-23-18-14(25-2)8-7-9-17(18)29-21(23)22-20(24)13-11-15(26-3)19(28-5)16(12-13)27-4/h7-9,11-12H,6,10H2,1-5H3/b22-21-
• InChIKey: JNPUEQSASUNZHR-DQRAZIAOSA-N
• XLogP: 3.89
• TPSA: 71.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 7541324) is 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cccc(OC)c21.

What is the InChIKey of 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is JNPUEQSASUNZHR-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-6-10-23-18-14(25-2)8-7-9-17(18)29-21(23)22-20(24)13-11-15(26-3)19(28-5)16(12-13)27-4/h7-9,11-12H,6,10H2,1-5H3/b22-21-.

What are the key properties of 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 416.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 7541324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).