2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

C15H17N3O3S — CID 68670318

About 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 68670318) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
• PubChem CID: 68670318
• Molecular Formula: C15H17N3O3S
• Molecular Weight: 319.39 g/mol
• Exact Mass: 319.10
• IUPAC Name: 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
• SMILES: COc1c(C(N)=O)cccc1C(=O)N(C)Cc1nc(C)cs1
• InChI: InChI=1S/C15H17N3O3S/c1-9-8-22-12(17-9)7-18(2)15(20)11-6-4-5-10(14(16)19)13(11)21-3/h4-6,8H,7H2,1-3H3,(H2,16,19)
• InChIKey: KPLIYUDOMRJVQC-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 85.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.39
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?

The IUPAC name of 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 68670318) is 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is COc1c(C(N)=O)cccc1C(=O)N(C)Cc1nc(C)cs1.

What is the InChIKey of 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?

The InChIKey is KPLIYUDOMRJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-8-22-12(17-9)7-18(2)15(20)11-6-4-5-10(14(16)19)13(11)21-3/h4-6,8H,7H2,1-3H3,(H2,16,19).

What are the key properties of 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?

2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68670318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).