4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C18H17N3O3S2 — CID 34264864

About 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 34264864) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 34264864
• Molecular Formula: C18H17N3O3S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.07
• IUPAC Name: 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CNC(=O)COc1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1
• InChI: InChI=1S/C18H17N3O3S2/c1-11-16(26-18(20-11)14-7-4-8-25-14)17(23)21-12-5-3-6-13(9-12)24-10-15(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
• InChIKey: MYRMVBKUGSUIMC-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 34264864) is 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CNC(=O)COc1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1.

What is the InChIKey of 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is MYRMVBKUGSUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-11-16(26-18(20-11)14-7-4-8-25-14)17(23)21-12-5-3-6-13(9-12)24-10-15(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23).

What are the key properties of 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 34264864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).